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

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Properties Simple | Detailed

Formula C16H11BrF3N3O2S
IUPAC Name 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-ium-5-ylium-1-yl]benzenesulfonamide
Molecular Mass 446.242 g·mol−1
Heat of Formation -551.2 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 412.36 Å 3
Surface Area 363.95 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
  • 4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide
  • 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
  • s58
InChIKey OYZKFVIVPRQRQQ-UHFFFAOYSA-N
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Elements C F H O N S Br