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4-(3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
SpectraBase Compound ID ELkI2KH9mbh
InChI InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)23(22-14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey LLIRLFAYAZJFPD-UHFFFAOYSA-N
Mol Weight 446.24 g/mol
Molecular Formula C16H11BrF3N3O2S
Exact Mass 444.970745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88NjsTMYysk
Name 4-(3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11BrF3N3O2S
InChI InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)23(22-14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey LLIRLFAYAZJFPD-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.07.0367
Molecular Weight 446.242 g/mol
SMILES NS(c1ccc(cc1)-[n]1nc(cc1C(F)(F)F)-c1ccc(cc1)Br)(=O)=O
SPLASH splash10-0002-2555900000-ae926ab42eaa4bda39ae
Source of Spectrum Marcio M. Lobo, et al. European Journal of Medicinal Chemistry, 10.1016/j.ejmech.2015.07.0367
Wiley ID 1815382