5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide

C₁₅H₁₈N₂O₂SCAS 51123-09-2290.38 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₅H₁₈N₂O₂S
Molar mass: 290.38 g/mol
Exact mass: 290.1089 Da
Melting point: 108 °C
logP: 2.79Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from the 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

51123-09-2

SMILES

CCN(c1ccccc1)S(=O)(=O)c1cc(N)ccc1C

InChIKey

ZAXMFSSGOARPBM-UHFFFAOYSA-N

InChI

InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
5-Amino-N-ethyl-2-toluenesulfonanilide
NSC 84161

Work with 5-Amino-N-ethyl-2-methyl-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

2-Amino-N-ethyl-N-phenylbenzenesulfonamide81-10-760 % similar 5-Amino-2-methyl-N-phenylbenzenesulfonamide79-72-149 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-747 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-746 % similar 3,4-Xylidine95-64-736 % similar 3-Chloro-4-methylaniline95-74-936 % similar 5-Amino-2-methylphenol sulfate183293-62-135 % similar Diethyl-p-phenylenediamine sulfate6283-63-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook