N-[4-(1,1,1,3,3,3-Hexafluoro-2-Hydroxy-2-Propanyl)Phenyl]-N-(2,2,2-Trifluoroethyl)Benzenesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C17H12F9NO3S
IUPAC Name n-(2,2,2-trifluoroethyl)-n-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide
Molecular Mass 481.333 g·mol−1
Heat of Formation -2295.8 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 461.52 Å 3
Surface Area 349.61 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • n-(2,2,2-trifluoroethyl)-n-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]sulfonamide
  • n-(2,2,2-trifluoroethyl)-n-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide
  • n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
  • n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl]-n-(2,2,2-trifluoroethyl)benzenesulfonamide
  • n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-(2,2,2-trifluoroethyl)benzenesulfonamide
  • t 0901317
  • t0901317
  • to-901317
CAS Number(s)
  • 293754-55-9
InChIKey SGIWFELWJPNFDH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S