chempirical

P-Toluenesulfonamide

C7H9NO2SCAS 70-55-3171.21 g/mol

Open in Covalent MOL file
SNH2OO
Sulfonamide

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Melting point
138.5 °C
Boiling point
214 °C (at 9.98 Torr)
logP
0.64Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
70-55-3
SMILES
Cc1ccc(S(N)(=O)=O)cc1
InChIKey
LMYRWZFENFIFIT-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)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

16 names · show all
  • Benzenesulfonamide, 4-methyl-
  • 4-Methylbenzenesulfonamide
  • p-Tosylamide
  • p-Methylbenzenesulfonamide
  • Toluene-4-sulfonamide
  • p-Tolylsulfonamide
  • Tolylsulfonamide
  • Tosylamide
  • Plasticizer 15
  • 4-Tolylsulfonamide
  • Uniplex 173
  • 4-Methylphenylsulfonamide
  • NSC 9908
  • Topcizer 1S
  • 4-Methylbenzene-1-sulfonamide
  • 4-Methylbenzensulfonamide

Work with P-Toluenesulfonamide

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

Toluenesulfonamide1333-07-970 % similar Sulfanilamide63-74-158 % similar Benzenesulfonamide98-10-256 % similar 4-Hydroxybenzenesulfonamide1576-43-856 % similar 4-Fluorobenzenesulfonamide402-46-056 % similar 4-Bromobenzenesulfonamide701-34-856 % similar 4-Chlorobenzenesulfonamide98-64-656 % similar 4-Methoxybenzenesulfonamide1129-26-655 % 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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