chempirical

4-Ethylbenzenesulfonamide

C8H11NO2SCAS 138-38-5185.24 g/mol

Open in Covalent MOL file
SNH2OO
Sulfonamide

Properties

Molecular formula
C8H11NO2S
Molar mass
185.24 g/mol
Exact mass
185.0510 Da
Melting point
109–110 °C
logP
0.90Crippen estimate
Polar surface area
60.2 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

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
138-38-5
SMILES
CCc1ccc(S(N)(=O)=O)cc1
InChIKey
MLTGAVXHWSDGIS-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

Weigh it out

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

Names and synonyms

5 names
  • Benzenesulfonamide, 4-ethyl-
  • Benzenesulfonamide, p-ethyl-
  • p-Ethylbenzenesulfonamide
  • NSC 9909
  • EBSA

Work with 4-Ethylbenzenesulfonamide

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-N-Butylbenzenesulfonamide1135-00-865 % similar 4-(2-Aminoethyl)benzenesulfonamide35303-76-560 % similar 4-Bromomethyl-benzenesulfonamide40724-47-860 % similar p-(Aminomethyl)benzenesulfonamide hydrochloride138-37-456 % similar P-Toluenesulfonamide70-55-355 % similar 4-Ethylbenzene-1-sulfonyl chloride16712-69-955 % similar 4-Ethylbenzenesulfonic acid98-69-155 % similar Sulfanilamide63-74-152 % similar

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

Same formula

Methyl 3-amino-3-(2-thienyl)propanoate188812-40-0 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester19156-63-9 (βS)-β-Amino-3-thiophenebutanoic acid270262-99-2 Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-2 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester4651-93-8 Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-1 N-Methyl-p-toluenesulfonamide640-61-9 4-Methyl-5-thiazoleethanol acetate656-53-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook