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4-Methyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide

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

4-Methyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
SpectraBase Compound ID I51ZKul49W1
InChI InChI=1S/C10H8F3N3O2S2/c1-6-2-4-7(5-3-6)20(17,18)16-9-15-14-8(19-9)10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKey XLLHQJSHIYSQFD-UHFFFAOYSA-N
Mol Weight 323.31 g/mol
Molecular Formula C10H8F3N3O2S2
Exact Mass 323.001003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBA1CGhx5XM
Name 4-Methyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.001003345 u
Formula C10H8F3N3O2S2
InChI InChI=1S/C10H8F3N3O2S2/c1-6-2-4-7(5-3-6)20(17,18)16-9-15-14-8(19-9)10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKey XLLHQJSHIYSQFD-UHFFFAOYSA-N
Molecular Weight 323.308 g/mol
SMILES CC1=CC=C(S(NC=2SC(C(F)(F)F)=NN2)(=O)=O)C=C1