2-(Trifluoromethyl)benzenesulfonamide

C₇H₆F₃NO₂SCAS 1869-24-5225.19 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₇H₆F₃NO₂S
Molar mass: 225.19 g/mol
Exact mass: 225.0071 Da
Melting point: 184–185 °C
logP: 1.35Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

1869-24-5

SMILES

NS(=O)(=O)c1ccccc1C(F)(F)F

InChIKey

AFFPZJFLSDVZBV-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(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

3 names

Benzenesulfonamide, 2-(trifluoromethyl)-
o-Toluenesulfonamide, α,α,α-trifluoro-
2-(Trifluoromethyl)benzene-1-sulfonamide

Work with 2-(Trifluoromethyl)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

2-(Trifluoromethyl)benzenesulfonyl chloride776-04-558 % similar 2-(Trifluoromethoxy)benzenesulfonamide37526-59-353 % similar 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide654-62-653 % similar 2-Aminobenzenesulfonamide3306-62-550 % similar 2-(Trifluoromethyl)benzenemethanesulfonamide112941-35-249 % similar 2-Chlorobenzenesulfonamide6961-82-648 % similar 2-Methylbenzenesulfonamide88-19-748 % similar 1,2-Bis(trifluoromethyl)benzene433-95-448 % similar

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

Same formula

Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-4 3-[(Trifluoromethyl)sulfonyl]benzenamine426-59-5 4-(Trifluoromethyl)benzenesulfonamide830-43-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook