chempirical

4-Cyanobenzenesulfonamide

C7H6N2O2SCAS 3119-02-6182.20 g/mol

Open in Covalent MOL file
NSNH2OO
NitrileSulfonamide

Properties

Molecular formula
C7H6N2O2S
Molar mass
182.20 g/mol
Exact mass
182.0150 Da
Melting point
165–166 °C
logP
0.21Crippen estimate
Polar surface area
84.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
3119-02-6
SMILES
N#Cc1ccc(S(N)(=O)=O)cc1
InChIKey
UZECCNDOASGYNH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonamide, 4-cyano-
  • Benzenesulfonamide, p-cyano-
  • p-Cyanobenzenesulfonamide
  • 4-(Aminosulfonyl)benzonitrile
  • NSC 77086
  • 4-Cyanophenylsulfonamide

Work with 4-Cyanobenzenesulfonamide

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

Benzenesulfonamide98-10-256 % similar Sulfanilamide63-74-152 % similar 4-Hydroxybenzenesulfonamide1576-43-850 % similar 4-[(Trifluoromethyl)sulfonyl]benzonitrile312-21-050 % similar 4-Fluorobenzenesulfonamide402-46-050 % similar 1,4-Dicyanobenzene623-26-750 % similar P-Toluenesulfonamide70-55-350 % similar 4-Bromobenzenesulfonamide701-34-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook