Benzenesulfonamide structure
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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 |
Signal Word | Warning | |
Use of BenzenesulfonamideBenzenesulphonamide (compound 1) is a potent carbonic anhydrase inhibitor. Benzenesulphonamide shows CA II inhibitory activity[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Benzenesulfonamide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Benzenesulphonamide (compound 1) is a potent carbonic anhydrase inhibitor. Benzenesulphonamide shows CA II inhibitory activity[1]. |
|---|---|
| Related Catalog | |
| Target |
CA II[1] |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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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... |
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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 ... |
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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... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity against human carbonic anhydrase (hCA).
Source: ChEMBL
Target: Carbonic anhydrase 3
External Id: CHEMBL662691
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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
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Name: CHCl3-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256049
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Name: Inhibition of recombinant human QC using H-Gln-AMC hydrobromide as fluorogenic substr...
Source: ChEMBL
Target: Glutaminyl-peptide cyclotransferase
External Id: CHEMBL5149905
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Name: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256050
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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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzosulfonamide |
| Benzosuifqnamide |
| BENZENESULPHOAMIDE |
| Benzene sulfonamtde |
| Benzenesulfonamide |
| mandb7973 |
| BSA |
| EINECS 202-637-1 |
| MFCD00007930 |
| benzolsulfonamide |
| benzsulfamide |
| phenyl sulfonamide |
| ZSWR |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of Benzenesulfonamide? |
| A: Molecular formula of Benzenesulfonamide is C6H7NO2S. |
| Q: What is the English name of Benzenesulfonamide? |
| A: The English name of Benzenesulfonamide is Benzenesulfonamide. |
| Q: What are the upstream materials of Benzenesulfonamide? |
| A: Related upstream materials(CAS) of Benzenesulfonamide: 98-09-9;5339-67-3;16066-31-2;938-10-3;2512-24-5;5339-69-5;129716-35-4;117824-61-0;5183-78-8;1709-50-8. |
| Q: What is the molecular weight of Benzenesulfonamide? |
| A: Molecular weight of Benzenesulfonamide is 157.19. |
| Q: What is the CAS number of Benzenesulfonamide? |
| A: CAS number of Benzenesulfonamide is 98-10-2. |
| Q: What is the safety information for Benzenesulfonamide? |
| A: Safety information for Benzenesulfonamide: S36. |
| Q: What is the LogP of Benzenesulfonamide? |
| A: LogP of Benzenesulfonamide is 0.62. |
| Q: What is the InChIKey of Benzenesulfonamide? |
| A: InChIKey of Benzenesulfonamide is KHBQMWCZKVMBLN-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of Benzenesulfonamide? |
| A: Polar surface area (PSA) of Benzenesulfonamide is 68.54000. |
| Q: What are the downstream products of Benzenesulfonamide? |
| A: Related downstream products(CAS) of Benzenesulfonamide: 107786-78-7;10504-97-9;837-18-3;108223-53-6;111711-98-9;107920-79-6;104997-09-3;104667-72-3;1056-25-3;4392-37-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |