Basic information
- CAS
28857-01-4- Standard SMILES
C=CCc1cccc(C=Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1O- InChIKey
JRMRBHYADZUYPM-UHFFFAOYSA-N- Molecular formula
- C23H22N2O3S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.13511374
Names & identifiers
- Preferred name
- N-(2-(3-allyl-2-hydroxybenzylideneamino)phenyl)-4-methylbenzenesulfonamide
- IUPAC
- N-[2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
Names & synonyms
28857-01-4NSC-120184N-{2-[(3-allyl-2-hydroxybenzylidene)amino]phenyl}-4-methylbenzenesulfonamideNSC120184CHEMBL1165355SCHEMBL17448041DTXSID90422398STL432257AKOS032968496N-(2-(3-allyl-2-hydroxybenzylideneamino)phenyl)-4-methylbenzenesulfonamide4-Methyl-N-[2-({(E)-[6-oxo-5-(prop-2-en-1-yl)cyclohexa-2,4-dien-1-ylidene]methyl}amino)phenyl]benzene-1-sulfonamideN-[2-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)phenyl]-4-methylbenzenesulfonamide
Database identifiers
- CAS
28857-01-4- PubChem CID
- 274239
- DTXSID
DTXSID90422398- ChEMBL
CHEMBL1165355
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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