2-(Trifluoromethyl)benzenemethanesulfonamide

C₈H₈F₃NO₂SCAS 112941-35-2239.21 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₈H₈F₃NO₂S
Molar mass: 239.21 g/mol
Exact mass: 239.0228 Da
logP: 1.49Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

112941-35-2

SMILES

NS(=O)(=O)Cc1ccccc1C(F)(F)F

InChIKey

IOWBSTPROVYJMM-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO2S/c9-8(10,11)7-4-2-1-3-6(7)5-15(12,13)14/h1-4H,5H2,(H2,12,13,14)

Weigh it out

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

Names and synonyms

4 names

Benzenemethanesulfonamide, 2-(trifluoromethyl)-
1-[2-(Trifluoromethyl)phenyl]methanesulfonamide
2-Trifluoromethylbenzylsulfonamide
[2-(Trifluoromethyl)phenyl]methanesulfonamide

Work with 2-(Trifluoromethyl)benzenemethanesulfonamide

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-(Trifluoromethyl)benzenemethanamine3048-01-953 % similar 2-(Trifluoromethyl)benzeneethanamine774-18-550 % similar [2-(Trifluoromethyl)phenyl]acetic acid3038-48-049 % similar 2-(Trifluoromethyl)benzenesulfonamide1869-24-549 % similar 2-Trifluoromethylbenzyl chloride21742-00-749 % similar 2-(Trifluoromethyl)benzenemethanol346-06-549 % similar 2-Trifluoromethylbenzyl bromide395-44-849 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-947 % similar

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

Same formula

1,1,1-Trifluoro-N-(phenylmethyl)methanesulfonamide36457-58-6

Elsewhere

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