2-Methylbenzenesulfonamide

C₇H₉NO₂SCAS 88-19-7171.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉NO₂S
Molar mass: 171.21 g/mol
Exact mass: 171.0354 Da
Melting point: 156.3 °C
Boiling point: 214 °C (at 9.98 Torr)
logP: 0.64Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

88-19-7

SMILES

Cc1ccccc1S(N)(=O)=O

InChIKey

YCMLQMDWSXFTIF-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

Weigh it out

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

Names and synonyms

10 names

Benzenesulfonamide, 2-methyl-
o-Toluenesulfonamide
o-Methylbenzenesulfonamide
Toluene-2-sulfonamide
o-Toluenesulfamide
2-Tolylsulfonamide
NSC 2185
2-Methylphenylsulfonamide
2-Methylbenzenesulfonimidic acid
2-Methylbenzene-1-sulfonamide

Work with 2-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

Toluenesulfonamide1333-07-977 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-756 % similar 2-Aminobenzenesulfonamide3306-62-555 % similar 2-Methylbenzenesulfonyl chloride133-59-553 % similar 2-Chlorobenzenesulfonamide6961-82-653 % similar 2-(Trifluoromethyl)benzenesulfonamide1869-24-548 % similar N-Ethyl-O-toluenesulfonamide1077-56-147 % similar P-Toluenesulfonamide70-55-347 % similar

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

Same formula

N-Phenylmethanesulfonamide1197-22-4 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 (αS)-α-Amino-3-thiophenepropanoic acid3685-51-6 Phenylmethanesulfonamide4563-33-1 N-Methylbenzenesulfonamide5183-78-8 4-(Methylsulfonyl)aniline5470-49-5

Elsewhere

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