N-(4-Aminophenyl)-4-methylbenzenesulfonamide

C₁₃H₁₄N₂O₂SCAS 6380-08-1262.33 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₃H₁₄N₂O₂S
Molar mass: 262.33 g/mol
Exact mass: 262.0776 Da
logP: 2.38Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6380-08-1

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N

InChIKey

XKDFMOOUKPSLEM-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2O2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,14H2,1H3

Weigh it out

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

Work with N-(4-Aminophenyl)-4-methylbenzenesulfonamide

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

4,4′-Diaminobenzenesulfonanilide16803-97-779 % similar 4-Methyl-N-(4-nitrophenyl)benzenesulfonamide734-25-860 % similar P-Toluenesulfonylhydrazide1576-35-856 % similar N-Methyl-p-toluenesulfonamide640-61-953 % similar 4-Amino-N-ethylbenzenesulfonamide1709-53-153 % similar Sulfamethazine57-68-153 % similar 4-Methylaniline106-49-052 % similar Sulfamethizole144-82-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-2-methyl-N-phenylbenzenesulfonamide79-72-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook