N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide

HCID 6894217

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Basic information

CAS: 120167-56-8
Standard SMILES: COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC
InChIKey: BGFKCBUVDYHHJF-LFIBNONCSA-N
Molecular formula: C15H16N2O4S
Average molar mass: 320.4 g/mol
Monoisotopic mass: 320.08307817

Names & identifiers

Preferred name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
IUPAC: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide

Names & synonyms

120167-56-8N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzenesulfonamideN'-[(1E)-(3,4-DIMETHOXYPHENYL)METHYLIDENE]BENZENESULFONOHYDRAZIDEN'-[(1E)-(3,4-dimethoxyphenyl)methylene]benzenesulfonohydrazideN'-[(E)-(3,4-dimethoxyphenyl)methylidene]benzenesulfonohydrazideMLS001197175CHEMBL3190157(E)-N'-(3,4-dimethoxybenzylidene)benzenesulfonohydrazideDTXSID501332653STK437759AKOS001267353SMR000555606

Show more names

ST50170869SR-01000081706SR-01000081706-1Z49626622F0777-0511[(1E)-2-(3,4-dimethoxyphenyl)-1-azavinyl](phenylsulfonyl)amine

Database identifiers

CAS: 120167-56-8
PubChem CID: 6894217
DTXSID: DTXSID501332653
ChEMBL: CHEMBL3190157

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 85.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 455

Experimental & physicochemical properties

Solubility15.4 [ug/mL] (The mean of the results at pH 7.4)

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