CAS 4371-23-7 4-Phenylbenzene-1-sulfonamide (HCID 5017140)

Substructure search Find similar structures

Basic information

CAS: 4371-23-7
Standard SMILES: NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIKey: JVFCCRJSBNUDDU-UHFFFAOYSA-N
Molecular formula: C12H11NO2S
Average molar mass: 233.29 g/mol
Monoisotopic mass: 233.05104959

Names & identifiers

Preferred name: 4-Phenylbenzene-1-sulfonamide
IUPAC: 4-phenylbenzenesulfonamide
English name: Biphenyl-4-O-sulfamate
Molecular formula: C12H11NO2S
Molecular weight: 233.29

Names & synonyms

4-phenylbenzene-1-sulfonamideRefChem:526401841-174-5[1,1'-Biphenyl]-4-sulfonamide4371-23-74-phenylbenzenesulfonamide4-biphenylsulfonamide4-(Phenyl)-BenzenesulfonamideBiphenyl-4-O-sulfamate72DOprea1_518194SCHEMBL308881

Show more names

Biphenyl-4-o-SulfamatBiphenyl-4-sulfonamide[1,1-Biphenyl]-4-sulfonamide

SCHEMBL4714329SCHEMBL7395914SCHEMBL8594103CHEMBL3764182SCHEMBL27491694DTXSID90407544JVFCCRJSBNUDDU-UHFFFAOYSA-NBDBM210935

Database identifiers

CAS: 4371-23-7
PubChem CID: 5017140
DTXSID: DTXSID90407544
ChEMBL: CHEMBL3764182
EC Number: 841-174-5
Nikkaji: J409.568E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 306

Experimental & physicochemical properties

LogP2.24

Physicochemical properties

Melting point: 230 °C · 230 °C
Boiling point: 424.9 · 424.9±38.0 °C(Predicted)
Density: 1.27 · 1.270±0.06 g/cm3(Predicted)
pka: 10.06 · 10.06±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362