Basic information
- Standard SMILES
CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Nc3ccccc3N)c2)cc1- InChIKey
BBXFDSLIDSRCBA-KPKJPENVSA-N- Molecular formula
- C21H22N4O3S
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- (E)-N-(2-Amino-phenyl)-3-[1-(4-dimethylamino-benzenesulfonyl)-1H-pyrrol-3-yl]-acrylamide
- IUPAC
- (E)-N-(2-aminophenyl)-3-[1-[4-(dimethylamino)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
Names & synonyms
SCHEMBL296155BBXFDSLIDSRCBA-KPKJPENVSA-N(E)-N-(2-Amino-phenyl)-3-[1-(4-dimethylamino-benzenesulfonyl)-1H-pyrrol-3-yl]-acrylamide
Database identifiers
- PubChem CID
- 11625697
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
Related reactions
6 records
Compound notes
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