4-(Benzylideneamino)benzenesulfonamide

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Basic information

CAS: 5877-53-2
Standard SMILES: NS(=O)(=O)c1ccc(N=Cc2ccccc2)cc1
InChIKey: OPUFYXLEFFRGSQ-UHFFFAOYSA-N
Molecular formula: C13H12N2O2S
Average molar mass: 260.31 g/mol
Monoisotopic mass: 260.0619488

Names & identifiers

Preferred name: 4-(Benzylideneamino)benzenesulfonamide
IUPAC: 4-(benzylideneamino)benzenesulfonamide

Names & synonyms

4-(benzylideneamino)benzenesulfonamide5877-53-2Sulfanilamide, N4-benzylidene-Benzenesulfonamide, 4-benzylidenamino-4-([Phenylmethylidene]amino)benzenesulfonamideBenzenesulfonamide, 4-[(phenylmethylene)amino]-4-((Phenylmethylidene)amino)benzenesulfonamideBenzenesulfonamide, 4-((phenylmethylene)amino)-RefChem:97345OPUFYXLEFFRGSQ-XNTDXEJSSA-NCHEMBL4086194-(Benzylideneamino)benzenesulfonamide,

Show more names

N-Benzylidene-4-sulfamoylaniline4-benzylideneamino-benzenesulfonamideNSC209922CBMicro_014605SCHEMBL1517598SCHEMBL5310957DTXSID60308832OPUFYXLEFFRGSQ-UHFFFAOYSA-N

Database identifiers

CAS: 5877-53-2
PubChem CID: 308405
DTXSID: DTXSID60308832
ChEMBL: CHEMBL408619
Nikkaji: J759.479H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 372

Related reactions

4 records

New reaction record

HRID 856851As productuspto-grants-2006_12

HRID 1415814As productuspto-grants-1999_06

HRID 1415815As reactantuspto-grants-1999_06

HRID 2136923As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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