chempirical

4-(Trifluoromethyl)benzenesulfonamide

C7H6F3NO2SCAS 830-43-3225.19 g/mol

Open in Covalent MOL file
NH2SOOFFF
Alkyl halideSulfonamide

Properties

Molecular formula
C7H6F3NO2S
Molar mass
225.19 g/mol
Exact mass
225.0071 Da
Melting point
181–183 °C
logP
1.35Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
830-43-3
SMILES
NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey
TVHXQQJDMHKGGK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO2S/c8-7(9,10)5-1-3-6(4-2-5)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

5 names
  • Benzenesulfonamide, 4-(trifluoromethyl)-
  • p-Toluenesulfonamide, α,α,α-trifluoro-
  • α,α,α-Trifluoro-p-toluenesulfonamide
  • p-Trifluoromethylbenzenesulfonamide
  • 4-(Trifluoromethyl)phenylsulfonamide

Work with 4-(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

4-tert-Butylbenzenesulfonamide6292-59-760 % similar 4-Fluorobenzenesulfonamide402-46-055 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-655 % similar 4-(Trifluoromethoxy)benzenesulfonamide1513-45-755 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonamide351003-63-953 % similar Sulfanilamide63-74-152 % similar 4-Hydroxybenzenesulfonamide1576-43-850 % similar 1,4-Bis(trifluoromethyl)benzene433-19-250 % similar

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

Same formula

Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-4 2-(Trifluoromethyl)benzenesulfonamide1869-24-5 3-[(Trifluoromethyl)sulfonyl]benzenamine426-59-5

Elsewhere

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