chempirical

4-N-Butylbenzenesulfonamide

C10H15NO2SCAS 1135-00-8213.29 g/mol

Open in Covalent MOL file
SOONH2
Sulfonamide

Properties

Molecular formula
C10H15NO2S
Molar mass
213.29 g/mol
Exact mass
213.0823 Da
logP
1.68Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
1135-00-8
SMILES
CCCCC1=CC=C(C=C1)S(=O)(=O)N
InChIKey
IWEMSJAOIKQBBZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)

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Names and synonyms

1 names
  • 4-Butylbenzenesulfonamide

Work with 4-N-Butylbenzenesulfonamide

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-Ethylbenzenesulfonamide138-38-565 % similar 4-(2-Aminoethyl)benzenesulfonamide35303-76-559 % similar p-(Aminomethyl)benzenesulfonamide hydrochloride138-37-451 % similar 4-Butylaniline104-13-250 % similar P-Toluenesulfonamide70-55-350 % similar Benzenesulfonamide98-10-250 % similar N-[2-[4-(Aminosulfonyl)phenyl]ethyl]acetamide41472-49-549 % similar 4-N-Butylbenzamide107377-07-147 % similar

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

Same formula

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione107869-45-4 (1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol16854-32-3 N-Butylbenzenesulfonamide3622-84-2 4-tert-Butylbenzenesulfonamide6292-59-7 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-6

Elsewhere

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