chempirical

N-Phenylmethanesulfonamide

C7H9NO2SCAS 1197-22-4171.21 g/mol

Open in Covalent MOL file
SOOHN
Sulfonamide

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Melting point
99–100 °C
logP
1.06Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1197-22-4
SMILES
CS(=O)(=O)Nc1ccccc1
InChIKey
LBTPIFQNEKOAIM-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h2-6,8H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Methanesulfonamide, N-phenyl-
  • Methanesulfonanilide
  • Methanesulfanilide
  • N-Mesylaniline
  • Methylsulfonanilide
  • N-(Methylsulfonyl)aniline
  • NSC 11329

Work with N-Phenylmethanesulfonamide

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-Methanesulfonamidophenyl)boronic acid380430-57-955 % similar 3-(Methylsulfonylamino)phenylboronic acid148355-75-353 % similar N-Phenylbenzenesulfonamide1678-25-750 % similar N-[3-(Dipropylamino)phenyl]methanesulfonamide186453-43-047 % similar N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide64488-52-447 % similar B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-247 % similar Sotalol3930-20-943 % similar N-(3-Hydroxypyridin-2-yl)methanesulfonamide1082766-43-542 % similar

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

Same formula

(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 (αS)-α-Amino-3-thiophenepropanoic acid3685-51-6

Elsewhere

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