C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F
CAS: 456-64-4
Name: 1,1,1-trifluoro-N-phenylmethanesulfonamide
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C7H6F3NO2S
Molecular weight
225.19
Exact mass
225.0071
XLogP
1.95
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
45.04

Supplementary Information

InChIKey: OXDSKEQSEGDAFN-UHFFFAOYSA-N
Synonyms
1,1,1-trifluoro-n-phenylmethanesulfonamide456-64-4TrifluoromethanesulfonanilideN-PhenyltriflamideN-Phenyl-1,1,1-trifluoromethanesulfonamide9VYX7S52FKDTXSID20196570RefChem:899590DTXCID60119061805-920-3MFCD00521820N-PhenyltrifluoromethanesulfonamideMethanesulfonamide, 1,1,1-trifluoro-N-phenyl-1,1,1-Trifluoro-N-phenyl-methanesulfonamideN-Phenyl(trifluoromethane)sulfonamideBRN 2214142Methanesulfonanilide, 1,1,1-trifluoro-Phenyltriflamidephenyl triflamidePhNHTfMethanesulfonamide, N-phenyl-1,1,1-trifluoro-4-12-00-01061 (Beilstein Handbook Reference)SCHEMBL216185SCHEMBL688320CHEMBL286402n-trifluoromethanesulfonylanilineSCHEMBL1419244SCHEMBL4153477HMS1784H08N-phenyl trifluoromethanesulfonamide
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