4-[5-(4-Chlorophenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C16H11ClF3N3O2S
IUPAC Name 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]benzenesulfonamide
Molecular Mass 401.791 g·mol−1
Heat of Formation -606.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 405.43 Å 3
Surface Area 356.15 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide
  • 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChIKey NSQNZEUFHPTJME-UHFFFAOYSA-N
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Elements C F H Cl O N S