N-Ethyl-4-methylbenzenesulfonamide

C₉H₁₃NO₂SCAS 80-39-7199.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃NO₂S
Molar mass: 199.27 g/mol
Exact mass: 199.0667 Da
Melting point: 64 °C
Water solubility: < 1 g/L (21.1 °C)
logP: 1.29Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation72.6% of notifiers
H319 Causes serious eye irritation72.6% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

80-39-7

SMILES

CCNS(=O)(=O)c1ccc(C)cc1

InChIKey

OHPZPBNDOVQJMH-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

Benzenesulfonamide, N-ethyl-4-methyl-
p-Toluenesulfonamide, N-ethyl-
N-Ethyl-p-toluenesulfonamide
p-Toluene-N-ethylsulfonamide
p-Toluenesulfonyl-N-ethylamide
Santicizer 3
N-Tosylethylamine
N-Ethyl-p-tolylsulfonamide
N-Ethyl-p-methylbenzenesulfonamide
N-Ethyltosylamide
NSC 68803
N-Ethyl-4-toluenesulfonamide

Work with N-Ethyl-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-Butyl-4-methylbenzenesulfonamide1907-65-967 % similar 4-Amino-N-ethylbenzenesulfonamide1709-53-165 % similar N-Benzyl-p-toluenesulfonamide1576-37-062 % similar N-Methyl-p-toluenesulfonamide640-61-960 % similar N-((4-Methylphenyl)sulfonyl)glycine1080-44-058 % similar P-Toluenesulfonylhydrazide1576-35-858 % similar Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-555 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-853 % similar

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

Same formula

N-Ethyl-o-toluenesulfonamide1077-56-1 Ethyl 2-amino-4,5-dimethyl3-thenoate4815-24-1 tert-Butyl N-(thiophen-2-yl)carbamate56267-50-6 2-(Propane-2-sulfonyl)aniline76697-50-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook