1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine

C17H18ClFN2O2S — CID 113076680

IUPAC1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1F
InChIInChI=1S/C17H18ClFN2O2S/c1-13-12-16(6-7-17(13)19)24(22,23)21-10-8-20(9-11-21)15-4-2-14(18)3-5-15/h2-7,12H,8-11H2,1H3
InChIKeyHERRHALIWUYAOG-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine

1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine (PubChem CID 113076680) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
PubChem CID113076680
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC Name1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1F
InChIInChI=1S/C17H18ClFN2O2S/c1-13-12-16(6-7-17(13)19)24(22,23)21-10-8-20(9-11-21)15-4-2-14(18)3-5-15/h2-7,12H,8-11H2,1H3
InChIKeyHERRHALIWUYAOG-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 112501974
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100695438
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
4-[4-(4-chloro-3-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113081105
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine (CID 113076680) is 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
The InChIKey is HERRHALIWUYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c1-13-12-16(6-7-17(13)19)24(22,23)21-10-8-20(9-11-21)15-4-2-14(18)3-5-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine?
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine has a molecular weight of 368.86 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113076680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).