N-(2-{[(3-Methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide
Basic information
- CAS
28856-97-5- Standard SMILES
COc1ccc(O)c(C=Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1- InChIKey
HOZUZQCGQCUPSG-UHFFFAOYSA-N- Molecular formula
- C21H20N2O4S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.1143783
Names & identifiers
- Preferred name
- N-(2-{[(3-Methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide
- IUPAC
- N-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
Names & synonyms
28856-97-5CHEMBL4850980NSC120176DTXSID00419113BDBM50572143NSC-120176N-(2-{[(3-Methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide
Database identifiers
- CAS
28856-97-5- PubChem CID
- 274231
- DTXSID
DTXSID00419113- ChEMBL
CHEMBL4850980
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
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Compound notes
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