3-Amino-N-phenylbenzenesulfonamide

C₁₂H₁₂N₂O₂SCAS 80-21-7248.30 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₂H₁₂N₂O₂S
Molar mass: 248.30 g/mol
Exact mass: 248.0619 Da
Melting point: 126–128 °C
logP: 2.07Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

80-21-7

SMILES

Nc1cccc(S(=O)(=O)Nc2ccccc2)c1

InChIKey

SOZFVONLAQIHRF-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H,13H2

Weigh it out

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

Names and synonyms

6 names

Benzenesulfonamide, 3-amino-N-phenyl-
Metanilanilide
3-Aminobenzenesulfonanilide
NSC 4989
3-(N-Phenylaminosulfonyl)aniline
3-Amino-N-phenylbenzene-1-sulfonamide

Work with 3-Amino-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-Phenylbenzenesulfonamide1678-25-765 % similar 3-Amino-N-(tert-butyl)benzenesulfonamide608523-94-061 % similar 5-Amino-2-methyl-N-phenylbenzenesulfonamide79-72-156 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-756 % similar N-(4-Hydroxyphenyl)benzenesulfonamide5471-90-950 % similar 3-Aminobenzenesulfonamide98-18-050 % similar Metanilic acid121-47-149 % similar 3-(Methylsulphonyl)aniline35216-39-849 % similar

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

Same formula

3,3'-Sulphonyldianiline599-61-1 Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-1 Enoximone77671-31-9 Dapsone80-08-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook