Phenylmethanesulfonamide

C7H9NO2SCAS 4563-33-1171.21 g/mol

Open in Covalent MOL file
H2NSOO
Sulfonamide

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Melting point
102.5 °C
logP
0.48Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4563-33-1
SMILES
NS(=O)(=O)Cc1ccccc1
InChIKey
ABOYDMHGKWRPFD-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanesulfonamide
  • α-Toluenesulfonamide
  • Benzylsulfonamide
  • 1-Phenylmethanesulfonamide
  • Griltex PS 7200
  • NSC 28899
  • Alpha-toluenesulfonamide

Work with 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

Benzenemethanesulfonyl chloride1939-99-750 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-750 % similar Alpha-(Methylsulphonyl)toluene3112-90-150 % similar PMSF329-98-650 % similar 2-(Trifluoromethyl)benzenemethanesulfonamide112941-35-247 % similar Zonisamide68291-97-444 % similar Methyl 2-[(aminosulfonyl)methyl]benzoate112941-26-142 % similar Benzenesulfonamide98-10-239 % 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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