2-Thiophenesulfonamide

C₄H₅NO₂S₂CAS 6339-87-3163.21 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-Methylsulfonylthiophene38695-60-252 % similar 2-Benzenesulfonylthiophene22407-40-548 % similar Thiophene-2-sulfonylacetonitrile175137-62-947 % similar 5-Bromo-2-thiophenesulfonamide53595-65-644 % similar 5-Chlorothiophene-2-sulfonamide53595-66-744 % similar N-tert-Butyl-2-thiophenesulfonamide100342-30-143 % similar Benzenesulfonamide98-10-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook