2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile

C17H15F2N3O2S — CID 9025126

IUPAC2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15F2N3O2S/c18-13-4-6-14(7-5-13)25(23,24)22-10-8-21(9-11-22)17-3-1-2-16(19)15(17)12-20/h1-7H,8-11H2
InChIKeyPGZKFHSMOQKOHD-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.35
Rot. Bonds3

About 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile

2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile (PubChem CID 9025126) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
PubChem CID9025126
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15F2N3O2S/c18-13-4-6-14(7-5-13)25(23,24)22-10-8-21(9-11-22)17-3-1-2-16(19)15(17)12-20/h1-7H,8-11H2
InChIKeyPGZKFHSMOQKOHD-UHFFFAOYSA-N
XLogP2.35
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile
CID 9025341
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile
CID 33482411
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
2-chloro-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 17473893
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile
CID 7922926
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 69370902
2-fluoro-6-piperazin-1-ylbenzonitrile;hydrochloride
CID 42935470
2-chloro-6-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenoxy]benzonitrile
CID 3764651
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
2-fluoro-6-[4-(4-nitrophenyl)piperazin-1-yl]benzonitrile
CID 33482416
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3436716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile (CID 9025126) is 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile?
The InChIKey is PGZKFHSMOQKOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c18-13-4-6-14(7-5-13)25(23,24)22-10-8-21(9-11-22)17-3-1-2-16(19)15(17)12-20/h1-7H,8-11H2.
What are the key properties of 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile?
2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile has a molecular weight of 363.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile is sourced from PubChem (CID 9025126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).