2-Methylbenzenesulfonamide

C7H9NO2SCAS 88-19-7171.21 g/mol

Open in Covalent MOL file
SH2NOO
Sulfonamide

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Density
1.46 g/mL
Melting point
156.3 °C
Boiling point
214 °C (at 9.98 Torr)
Water solubility
1.62 g/L (25 °C)
logP
0.64Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, P501

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 and density.

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-Bromobenzenesulfonamide92748-09-955 % similar 4-Fluoro-2-methylbenzenesulfonamide489-17-855 % similar 2-Methylbenzenesulfonyl chloride133-59-553 % similar 2-Fluorobenzenesulfonamide30058-40-353 % similar 2-Chlorobenzenesulfonamide6961-82-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8

Elsewhere

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