4-(Trifluoromethoxy)benzenesulfonamide

C₇H₆F₃NO₃SCAS 1513-45-7241.18 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfonamide

Properties

Molecular formula: C₇H₆F₃NO₃S
Molar mass: 241.18 g/mol
Exact mass: 241.0020 Da
logP: 1.23Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

1513-45-7

SMILES

NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

InChIKey

RGOJCHYYBKMRLL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonamide, 4-(trifluoromethoxy)-
Benzenesulfonamide, p-(trifluoromethoxy)-
4-[(Trifluoromethyl)oxy]benzenesulfonamide
4-Trifluoromethoxyphenylsulfonamide

Work with 4-(Trifluoromethoxy)benzenesulfonamide

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-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-259 % similar 4-Methoxybenzenesulfonamide1129-26-655 % similar 4-(Trifluoromethyl)benzenesulfonamide830-43-355 % similar 4-(Difluoromethoxy)benzenesulfonamide874781-09-654 % similar 4-Fluorobenzenesulfonamide402-46-050 % similar 4-(Trifluoromethoxy)aniline461-82-550 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-047 % similar Sulfanilamide63-74-147 % similar

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

Same formula

2-(Trifluoromethoxy)benzenesulfonamide37526-59-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook