Basic information
- CAS
667-24-3- Standard SMILES
CS(=O)(=O)c1ccc(S(N)(=O)=O)cc1- InChIKey
OXLLOGLZHQOVJQ-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 234.99729977
Names & identifiers
- Preferred name
- 4-(Methanesulfonyl)benzene-1-sulfonamide
- IUPAC
- 4-methylsulfonylbenzenesulfonamide
- English name
- 4-Methylsulfonylbenzenesulfonamide
- Molecular formula
- C7H9NO4S2
- Molecular weight
- 235.28
Names & synonyms
DTXSID009852674-(Methanesulfonyl)benzene-1-sulfonamideRefChem:1070147DTXCID701412463667-24-34-methanesulfonylbenzene-1-sulfonamide4-methylsulfonylbenzenesulfonamide4-(methylsulfonyl)benzenesulfonamideBRN 2696482p-(Methylsulfonyl)benzenesulfonamideBenzenesulfonamide, p-(methylsulfonyl)-SCHEMBL6096079
Show more names
Benzenesulfonamide, 4-(methylsulfonyl)-
CHEMBL4944907OXLLOGLZHQOVJQ-UHFFFAOYSA-N4-methylsulphonylbenzenesulphonamideAAA66724AKOS009147554DB-184190EN300-79083G30630
Database identifiers
- CAS
667-24-3- PubChem CID
- 120313
- DTXSID
DTXSID00985267- ChEMBL
CHEMBL4944907- EC Number
- 139-764-6
- Nikkaji
- J49.125J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 378
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
4 records
Compound notes
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