Basic information
- CAS
6177-98-6- Standard SMILES
COc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1- InChIKey
QVNBVNUAMSWNMT-UHFFFAOYSA-N- Molecular formula
- C21H19N3O6S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.09945651
Names & identifiers
- Preferred name
- 2-[Benzenesulfonyl-(4-nitro-phenyl)-amino]-N-(3-methoxy-phenyl)-acetamide
- IUPAC
- 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-methoxyphenyl)acetamide
Names & synonyms
2-[Benzenesulfonyl-(4-nitro-phenyl)-amino]-N-(3-methoxy-phenyl)-acetamide6177-98-6AG-690/11203148MLS0005545412-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-methoxyphenyl)acetamideOprea1_617156CHEMBL1566271DTXSID40387428HMS2564A20STL123903AKOS000609783SMR000172077
Show more names
ST502609682-[{4-nitrophenyl}(phenylsulfonyl)amino]-N-[3-(methyloxy)phenyl]acetamideN-(3-methoxyphenyl)-2-[(4-nitrophenyl)(phenylsulfonyl)amino]acetamideN-(3-methoxyphenyl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamideN~2~-(Benzenesulfonyl)-N-(3-methoxyphenyl)-N~2~-(4-nitrophenyl)glycinamide
Database identifiers
- CAS
6177-98-6- PubChem CID
- 2889544
- DTXSID
DTXSID40387428- ChEMBL
CHEMBL1566271
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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