chempirical

2-Thiophenesulfonamide

C4H5NO2S2CAS 6339-87-3163.21 g/mol

Open in Covalent MOL file
NH2SOOS
Sulfonamide

Properties

Molecular formula
C4H5NO2S2
Molar mass
163.21 g/mol
Exact mass
162.9762 Da
Melting point
147 °C
logP
0.40Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
6339-87-3
SMILES
NS(=O)(=O)c1cccs1
InChIKey
KTFDYVNEGTXQCV-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)

Weigh it out

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

Names and synonyms

2 names
  • 2-Thienylsulfonamide
  • NSC 42521

Work with 2-Thiophenesulfonamide

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

2-Thiophenesulfonyl chloride16629-19-952 % similar 5-Bromo-2-thiophenesulfonamide53595-65-644 % similar 5-Chloro-2-thiophenesulfonamide53595-66-744 % similar N-tert-Butyl-2-thiophenesulfonamide100342-30-143 % similar Benzenesulfonamide98-10-243 % similar 2-Aminobenzenesulfonamide3306-62-542 % similar 2-Chlorobenzenesulfonamide6961-82-641 % similar Sulfanilamide63-74-140 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook