Benzenesulfonamide

Modify Date: 2025-08-20 13:26:20

Benzenesulfonamide Structure
Benzenesulfonamide structure
 Common Name Benzenesulfonamide
CAS Number 98-10-2 Molecular Weight 157.19
Density 1.3±0.1 g/cm3 Boiling Point 299.1±23.0 °C at 760 mmHg
Molecular Formula C6H7NO2S Melting Point 149-152 °C(lit.)
MSDS Chinese USA Flash Point 134.7±22.6 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Use of Benzenesulfonamide


Benzenesulphonamide (compound 1) is a potent carbonic anhydrase inhibitor. Benzenesulphonamide shows CA II inhibitory activity[1].

 Names

Name Benzenesulfonamide
Synonym More Synonyms

 Benzenesulfonamide Biological Activity

Description Benzenesulphonamide (compound 1) is a potent carbonic anhydrase inhibitor. Benzenesulphonamide shows CA II inhibitory activity[1].
Related Catalog
Target

CA II[1]

References

[1]. Thakur A, et al. QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index. Bioorg Med Chem. 2004 Feb 15;12(4):789-93.

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 299.1±23.0 °C at 760 mmHg
Melting Point 149-152 °C(lit.)
Molecular Formula C6H7NO2S
Molecular Weight 157.19
Flash Point 134.7±22.6 °C
Exact Mass 157.019745
PSA 68.54000
LogP 0.62
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.584
InChIKey KHBQMWCZKVMBLN-UHFFFAOYSA-N
SMILES NS(=O)(=O)c1ccccc1
Water Solubility 4.3 g/L (16 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA9380000
CHEMICAL NAME :
Benzenesulfonamide
CAS REGISTRY NUMBER :
98-10-2
BEILSTEIN REFERENCE NO. :
1100566
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C6-H7-N-O2-S
MOLECULAR WEIGHT :
157.20
WISWESSER LINE NOTATION :
ZSWR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
991 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1073,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
740 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 19(12),47,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,548,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5280 mg/kg/30D-I
TOXIC EFFECTS :
Liver - liver function tests impaired Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),88,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12180 mg/kg/9W-I
TOXIC EFFECTS :
Liver - liver function tests impaired Blood - changes in erythrocyte (RBC) count Related to Chronic Data - death
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
636 mg/kg/30W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0266 No. of Facilities: 126 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 2957 (estimated) No. of Female Employees: 1600 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R22
Safety Phrases S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DA9380000
HS Code 29350090

 Synthetic Route

 Customs

HS Code 2935009090
Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

 Articles41

More Articles
Efficient tandem solid-phase extraction and liquid chromatography-triple quadrupole mass spectrometry method to determine polar benzotriazole, benzothiazole and benzenesulfonamide contaminants in environmental water samples.

J. Chromatogr. A. 1309 , 22-32, (2013)

An analytical method has been developed that allows the simultaneous determination of five benzotriazole (BTRs), four benzothiazole (BTs) and five benzenesulfonamide (BSAs) derivates. The method is ba...

Neural peptidase endothelin-converting enzyme 1 regulates endothelin 1-induced pruritus.

J. Clin. Invest. 124(6) , 2683-95, (2014)

In humans, pruritus (itch) is a common but poorly understood symptom in numerous skin and systemic diseases. Endothelin 1 (ET-1) evokes histamine-independent pruritus in mammals through activation of ...

Amorphous drug dispersions with mono- and diacyl lecithin: On molecular categorization of their feasibility and UV dissolution imaging.

Int. J. Pharm. 491 , 218-30, (2015)

There is a growing interest in drug-phospholipid complexes and similar formulations that are mostly solid dispersions with high drug load. This study aims to explore the feasibility of such phospholip...

 BenzenesulfonamideBioassay

View more

Name: Binding affinity against human carbonic anhydrase (hCA).
Source: ChEMBL
Target: Carbonic anhydrase 3
External Id: CHEMBL662691
Name: Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 m...
Source: ChEMBL
Target: Platelet-activating factor acetylhydrolase
External Id: CHEMBL3821821
Name: Diuretic activity was determined
Source: ChEMBL
Target: N/A
External Id: CHEMBL827330
Name: Partition coefficient (logP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL633738
Name: CHCl3-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256049
Name: Inhibition of recombinant human QC using H-Gln-AMC hydrobromide as fluorogenic substr...
Source: ChEMBL
Target: Glutaminyl-peptide cyclotransferase
External Id: CHEMBL5149905
Name: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256050
Name: Partition coefficient (logP) (dodecane)
Source: ChEMBL
Target: N/A
External Id: CHEMBL637347
Name: Partition coefficient (logP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL637348
Name: Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assa...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL2340479
Total 53, Current Page 1 of 6
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 Synonyms

Benzosulfonamide
Benzosuifqnamide
BENZENESULPHOAMIDE
Benzene sulfonamtde
Benzenesulfonamide
mandb7973
BSA
EINECS 202-637-1
MFCD00007930
benzolsulfonamide
benzsulfamide
phenyl sulfonamide
ZSWR
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