4-[3-(Difluoromethyl)-5-(3-Fluoro-4-Methoxyphenyl)-1H-Pyrazol-1-Yl]Benzenesulfonamide

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Formula C17H14F3N3O3S
IUPAC Name 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxy-phenyl)pyrazol-1-ium-2-id-1-yl]benzenesulfonamide
Molecular Mass 397.372 g·mol−1
Heat of Formation -672.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 418.05 Å 3
Surface Area 367.66 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl)benzenesulfonamide
  • 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide
  • 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1-pyrazolyl]benzenesulfonamide
  • benzenesulfonamide, 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1h-pyrazol-1-yl)-
  • d03689
  • deracoxib
  • deracoxib (usan)
  • deramaxx
  • sc 046
  • sc 46
  • sc 59046
CAS Number(s)
  • 169590-41-4
InChIKey WAZQAZKAZLXFMK-UHFFFAOYSA-N
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