N-[2-[[(E)-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]-4-methylbenzenesulfonamide
Basic information
- CAS
28857-06-9- Standard SMILES
COc1cc(O)c(C=Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)c(OC)c1- InChIKey
SHRJVGQBKGCULK-UHFFFAOYSA-N- Molecular formula
- C22H22N2O5S
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.12494298
Names & identifiers
- Preferred name
- N-[2-[[(E)-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]-4-methylbenzenesulfonamide
- IUPAC
- N-[2-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
Names & synonyms
MLS00270698328857-06-9SMR001574379NSC120181N-[2-[[(E)-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]-4-methylbenzenesulfonamideCHEMBL1887814BDBM94859cid_6508778DTXSID10421803NSC-120181N-(2-{[(Z)-(2,4-Dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamideN-[2-[[(E)-(2,4-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]-4-methyl-benzenesulfonamide
Show more names
N-[2-[[(E)-(2,4-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]phenyl]-4-methylbenzenesulfonamideN-[2-[[(E)-(6-keto-2,4-dimethoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]-4-methyl-benzenesulfonamide
Database identifiers
- CAS
28857-06-9- PubChem CID
- 274236
- DTXSID
DTXSID10421803- ChEMBL
CHEMBL1887814
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 657
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Compound notes
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