N-Phenylbenzenesulfonamide

C₁₂H₁₁NO₂SCAS 1678-25-7233.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁NO₂S
Molar mass: 233.29 g/mol
Exact mass: 233.0510 Da
Melting point: 110 °C
logP: 2.49Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed52.5% of notifiers
H411 Toxic to aquatic life with long lasting effects47.5% of notifiers

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

1678-25-7

SMILES

O=S(=O)(Nc1ccccc1)c1ccccc1

InChIKey

XAUGWFWQVYXATQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzenesulfonamide, N-phenyl-
Benzenesulfonanilide
N-Benzenesulfonylaniline
NSC 30178
NSC 48357

Work with N-Phenylbenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Hydroxyphenyl)benzenesulfonamide5471-90-971 % similar 3-Amino-N-phenylbenzenesulfonamide80-21-765 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-463 % similar Piloty's acid599-71-358 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-757 % similar N-Methylbenzenesulfonamide5183-78-856 % similar Benzenesulfonyl hydrazide80-17-156 % similar N-Phenylmethanesulfonamide1197-22-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-7 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-5 2-(Phenylsulfonyl)aniline4273-98-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook