4-[5-(2,5-Dimethylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C18H16F3N3O2S
IUPAC Name 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]benzenesulfonamide
Molecular Mass 395.399 g·mol−1
Heat of Formation -656.2 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 425.82 Å 3
Surface Area 365.09 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide
  • 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChIKey NTFOSUUWGCDXEF-UHFFFAOYSA-N
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