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N-{4-[(4-chloroanilino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
SpectraBase Compound ID 2pyOTcUu4dE
InChI InChI=1S/C19H16ClF3N4O3S/c1-12-10-17(19(21,22)23)25-27(12)11-18(28)24-14-6-8-16(9-7-14)31(29,30)26-15-4-2-13(20)3-5-15/h2-10,26H,11H2,1H3,(H,24,28)
InChIKey IFZSHNCTPBOIMX-UHFFFAOYSA-N
Mol Weight 472.87 g/mol
Molecular Formula C19H16ClF3N4O3S
Exact Mass 472.058374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hg3Mx2ue2QE
Name N-{4-[(4-Chloroanilino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.058373751 u
Formula C19H16ClF3N4O3S
InChI InChI=1S/C19H16ClF3N4O3S/c1-12-10-17(19(21,22)23)25-27(12)11-18(28)24-14-6-8-16(9-7-14)31(29,30)26-15-4-2-13(20)3-5-15/h2-10,26H,11H2,1H3,(H,24,28)
InChIKey IFZSHNCTPBOIMX-UHFFFAOYSA-N
Molecular Weight 472.870 g/mol
SMILES N(C=1C=CC(S(NC=2C=CC(Cl)=CC2)(=O)=O)=CC1)C(CN1N=C(C=C1C)C(F)(F)F)=O