1,1,1-Trifluoro-N-(phenylmethyl)methanesulfonamide

C8H8F3NO2SCAS 36457-58-6239.21 g/mol

Open in Covalent MOL file
OSONHFFF
Alkyl halideSulfonamide

Properties

Molecular formula
C8H8F3NO2S
Molar mass
239.21 g/mol
Exact mass
239.0228 Da
logP
1.63Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36457-58-6
SMILES
O=S(=O)(NCc1ccccc1)C(F)(F)F
InChIKey
IJHVVEQTOXFGCL-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2

Weigh it out

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

Names and synonyms

5 names
  • Methanesulfonamide, 1,1,1-trifluoro-N-(phenylmethyl)-
  • N-Benzyl-1,1,1-trifluoromethanesulfonamide
  • N-Benzyltrifluoromethanesulfonamide
  • N-Benzyltriflamide
  • N-Benzyl-1,1,1-trifluoromethanesulphonamide

Work with 1,1,1-Trifluoro-N-(phenylmethyl)methanesulfonamide

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

N-Benzyl-p-toluenesulfonamide1576-37-043 % similar Dibenzylamine103-49-140 % similar Bistriflimide82113-65-340 % similar Bis(trifluoromethanesulfonyl)aniline37595-74-739 % similar Benzathine140-28-338 % similar Benzyl cyanide140-29-438 % similar PMSF329-98-637 % similar N-(1,1-Dimethylethyl)benzenemethanamine3378-72-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethyl)benzenemethanesulfonamide112941-35-2

Elsewhere

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