chempirical

N-Butyl-4-methylbenzenesulfonamide

C11H17NO2SCAS 1907-65-9227.32 g/mol

Open in Covalent MOL file
NHSOO
Sulfonamide

Properties

Molecular formula
C11H17NO2S
Molar mass
227.32 g/mol
Exact mass
227.0980 Da
Melting point
77 °C
logP
2.07Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
1907-65-9
SMILES
CCCCNS(=O)(=O)c1ccc(C)cc1
InChIKey
RQUXYBHREKXNKT-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3

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

Names and synonyms

6 names
  • Benzenesulfonamide, N-butyl-4-methyl-
  • p-Toluenesulfonamide, N-butyl-
  • N-Tosylbutylamine
  • N-Butyl-p-toluenesulfonamide
  • N-Butyl-p-toluenesulfoneamide
  • NSC 2180

Work with N-Butyl-4-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

N-Butylbenzenesulfonamide3622-84-271 % similar N-Ethyl-4-methylbenzenesulfonamide80-39-767 % similar N-Benzyl-P-toluenesulfonamide1576-37-054 % similar Tolbutamide64-77-753 % similar N-Methyl-P-toluenesulfonamide640-61-951 % similar N-[(4-Methylphenyl)sulfonyl]glycine1080-44-051 % similar Butyl P-toluenesulfonate778-28-950 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook