4-(2-Aminoethyl)benzenesulfonamide

C₈H₁₂N₂O₂SCAS 35303-76-5200.26 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₈H₁₂N₂O₂S
Molar mass: 200.26 g/mol
Exact mass: 200.0619 Da
Melting point: 145–147 °C
logP: -0.16Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

35303-76-5

SMILES

NCCc1ccc(S(N)(=O)=O)cc1

InChIKey

FXNSVEQMUYPYJS-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)

Weigh it out

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

Names and synonyms

11 names

Benzenesulfonamide, 4-(2-aminoethyl)-
Benzenesulfonamide, p-(2-aminoethyl)-
p-(β-Aminoethyl)benzenesulfonamide
p-(2-Aminoethyl)benzenesulfonamide
4-Sulfamoylphenethylamine
2-[4-(Aminosulfonyl)phenyl]ethylamine
4-(Aminosulfonyl)phenethylamine
p-Aminoethyl-benzenesulfonamide
4-(2-Aminoethyl)benzensulfonamide
2-(4-Sulfamoylphenyl)ethylamine
4-Aminoethylbenzenesulfonamide

Work with 4-(2-Aminoethyl)benzenesulfonamide

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

p-(Aminomethyl)benzenesulfonamide hydrochloride138-37-461 % similar 4-Ethylbenzenesulfonamide138-38-560 % similar 4-N-Butylbenzenesulfonamide1135-00-859 % similar 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride30827-99-753 % similar Sulfanilamide63-74-152 % similar 4-Hydroxybenzenesulfonamide1576-43-850 % similar 4-Fluorobenzenesulfonamide402-46-050 % similar P-Toluenesulfonamide70-55-350 % similar

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

Same formula

4-Amino-N-methylbenzenemethanesulfonamide109903-35-7 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-4 4-Amino-N-ethylbenzenesulfonamide1709-53-1 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-7 1,3-Diethyl-2-thiobarbituric acid5217-47-0

Elsewhere

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