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4-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
SpectraBase Compound ID HIPXlwDhKBj
InChI InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey OYZKFVIVPRQRQQ-UHFFFAOYSA-N
Mol Weight 446.24 g/mol
Molecular Formula C16H11BrF3N3O2S
Exact Mass 444.970745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZYDsH3IVpN
Name 4-(5-(4-Bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.970745267 u
Formula C16H11BrF3N3O2S
InChI InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey OYZKFVIVPRQRQQ-UHFFFAOYSA-N
Molecular Weight 446.242 g/mol
SMILES C1=CC(=CC=C1N1C(=CC(=N1)C(F)(F)F)C1=CC=C(C=C1)Br)S(=O)(=O)N