Formula |
C16H11F4N3O2S |
IUPAC Name |
4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]benzenesulfonamide |
Molecular Mass |
385.336 g·mol−1 |
Heat of Formation |
-764.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.78 ± 1.08 D |
Volume |
390.68 Å 3 |
Surface Area |
344.55 Å 2 |
HOMO Energy |
-10.14 ± 0.55 eV |
LUMO Energy |
-1.50 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide
- 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
- d04863
- mavacoxib (usan)
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CAS Number(s) |
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InChIKey |
TTZNQDOUNXBMJV-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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