4-(Phenylsulfonyl)aniline

HCID 516666

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Basic information

CAS: 7019-01-4
Standard SMILES: Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIKey: GDYFDXDATVPPDR-UHFFFAOYSA-N
Molecular formula: C12H11NO2S
Average molar mass: 233.29 g/mol
Monoisotopic mass: 233.05104959

Names & identifiers

Preferred name: 4-(Phenylsulfonyl)aniline
IUPAC: 4-(benzenesulfonyl)aniline
English name: 4-(Phenylsulfonyl)aniline
Molecular formula: C12H11NO2S
Molecular weight: 233.29

Names & synonyms

4-(Phenylsulfonyl)aniline7019-01-4Benzenamine, 4-(phenylsulfonyl)-4-Aminophenyl phenyl sulfone4-AminodiphenylsulfoneBenzenamine, 4-phenylsulfonyl-DTXSID40333662RefChem:97558DTXCID50284752968-839-3GDYFDXDATVPPDR-UHFFFAOYSA-N4-(benzenesulfonyl)aniline

Show more names

4-Aminodiphenyl SulphoneDapsone Impurity 74-desamino DapsoneDapsone Impurity 18Dapsone EP Impurity Bp-AMinodiphenyl Sulfonep-PhenylsulfonylanilineDapsone Aniline Impurityp-(Phenylsulfonyl)aniline

4-PhenylsulfonylanilineMFCD006257034-Aminodiphenyl Sulfonep-Aminophenyl Phenyl Sulfone4-Benzenesulfonyl-phenylamine4-(Phenylsulfonyl)benzenamine4-(Benzenesulphonyl)phenylamine[4-(Phenylsulfonyl)phenyl]amine

Database identifiers

CAS: 7019-01-4
PubChem CID: 516666
DTXSID: DTXSID40333662
ChEMBL: CHEMBL357499
UNII: 9XV49MR4HC
EC Number: 968-839-3
Nikkaji: J409.557J

Properties

Computed structural properties

XLogP: 1.8
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

LogP1.84

Physicochemical properties

Melting point: 175 · 175-177°C
storage temp.: Refrigerator, Under Inert Atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Major Application: pharmaceutical small molecule
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Phenylsulfonylaniline is used in the preparation of novel Flufenamic acid analogues as inhibitors of androgen receptor mediated transcription.