Basic information
- CAS
6380-13-8- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1- InChIKey
AEEARKNYRMBNSW-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Names & identifiers
- Preferred name
- 2'-Nitro-p-toluenesulfonanilide
- IUPAC
- 4-methyl-N-(2-nitrophenyl)benzenesulfonamide
- English name
- 4-Methyl-N-(2-nitro-phenyl)-benzene sulfonamide
- Molecular formula
- C13H12N2O4S
- Molecular weight
- 292.31
Names & synonyms
6380-13-82'-nitro-p-toluenesulfonanilideDTXSID00292968RefChem:1058638DTXCID002441094-methyl-N-(2-nitrophenyl)benzenesulfonamide4-methyl-N-(2-nitrophenyl)benzene-1-sulfonamide4-METHYL-N-(2-NITRO-PHENYL)-BENZENE SULFONAMIDENSC86601MLS003675204CHEMBL493590SCHEMBL2004978
Show more names
SALOR-INT L305553-1EABenzenesulfonamide, 4-methyl-N-(2-nitrophenyl)-
AEEARKNYRMBNSW-UHFFFAOYSA-NBDBM237302NSC-86601STK391324AKOS002527221EBC-611902SMR002355648DB-212830
Database identifiers
- CAS
6380-13-8- PubChem CID
- 257969
- DTXSID
DTXSID00292968- ChEMBL
CHEMBL493590- EC Number
- 131-555-8
- Nikkaji
- J866.851E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Applications
Uses4-Methyl-N-(2-nitrophenyl)benzenesulfonamide is an inhibitor of carbonic anhydrase isoenzymes I, II and VI.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
4 records
Compound notes
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