For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(4-Benzenesulfonyl-piperazin-1-yl)-2-chloro-5-fluoro-benzonitrile
SpectraBase Compound ID JHfk6WiaSVY
InChI InChI=1S/C17H15ClFN3O2S/c18-15-11-17(16(19)10-13(15)12-20)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14/h1-5,10-11H,6-9H2
InChIKey DVBTXHYTOANGLI-UHFFFAOYSA-N
Mol Weight 379.84 g/mol
Molecular Formula C17H15ClFN3O2S
Exact Mass 379.055754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2TfYTgKh93H
Name 4-(4-Benzenesulfonyl-piperazin-1-yl)-2-chloro-5-fluoro-benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClFN3O2S
InChI InChI=1S/C17H15ClFN3O2S/c18-15-11-17(16(19)10-13(15)12-20)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14/h1-5,10-11H,6-9H2
InChIKey DVBTXHYTOANGLI-UHFFFAOYSA-N
Molecular Weight 379.837 g/mol
SMILES c1ccc(S(N2CCN(c3cc(Cl)c(cc3F)C#N)CC2)(=O)=O)cc1
SPLASH splash10-0a70-9330000000-fc4281b08f5c9dc3e6e3
Synonyms 2-Chloranyl-5-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile 2-Chloro-5-fluoro-4-[4-(phenylsulfonyl)-1-piperazinyl]benzonitrile 4-(4-besylpiperazino)-2-chloro-5-fluoro-benzonitrile 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-chloro-5-fluorobenzonitrile 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloro-5-fluorobenzonitrile
Wiley ID 1461843