N-tert-Butyl-2-thiophenesulfonamide

C₈H₁₃NO₂S₂CAS 100342-30-1219.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₃NO₂S₂
Molar mass: 219.32 g/mol
Exact mass: 219.0388 Da
logP: 1.82Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

100342-30-1

SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CS1

InChIKey

CLKMBGGZGFULOO-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO2S2/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3

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Names and synonyms

1 names

N-(tert-Butyl)-2-thiophenesulfonamide

Work with N-tert-Butyl-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 chloride16629-19-943 % similar 2-Thiophenesulfonamide6339-87-343 % similar 2-Thiophenecarbonyl chloride5271-67-032 % similar

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

Elsewhere

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