1-Phenylmethanesulfonamide

Modify Date: 2025-08-24 23:15:01

1-Phenylmethanesulfonamide Structure
1-Phenylmethanesulfonamide structure
Common Name 1-Phenylmethanesulfonamide
CAS Number 4563-33-1 Molecular Weight 171.217
Density 1.3±0.1 g/cm3 Boiling Point 343.1±35.0 °C at 760 mmHg
Molecular Formula C7H9NO2S Melting Point 103-105°C
MSDS N/A Flash Point 161.3±25.9 °C

 Names

Name Phenylmethanesulfonamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 343.1±35.0 °C at 760 mmHg
Melting Point 103-105°C
Molecular Formula C7H9NO2S
Molecular Weight 171.217
Flash Point 161.3±25.9 °C
Exact Mass 171.035400
PSA 68.54000
LogP 0.49
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.587
InChIKey ABOYDMHGKWRPFD-UHFFFAOYSA-N
SMILES NS(=O)(=O)Cc1ccccc1

 Safety Information

Hazard Codes Xi
Risk Phrases R20/21/22
Safety Phrases S26-S36
HS Code 2935009090

 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%

 1-PhenylmethanesulfonamideBioassay

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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Inhibition of recombinant human cytosolic isozyme CA II
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL869402
Name: Inhibition of recombinant human cytosolic isozyme CA I
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL869401
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL4371108
Name: Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL869404
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Inhibition of recombinant human mitochondrial isozyme CA VA
Source: ChEMBL
Target: Carbonic anhydrase 5A, mitochondrial
External Id: CHEMBL869403
Name: Modulation of AMPAR-stargazin complexes
Source: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Target: Stargazin (mouse)
External Id: WaveGuideAssay:441
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 Synonyms

1-Phenylmethanesulfonamide
MFCD00041893
Benzylsulfonamide
EINECS 224-935-0
phenylmethanesulfonamide
α-Toluenesulfonamide
Benzenemethanesulfonamide
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