1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine

C17H18ClFN2O2S — CID 133451832

IUPAC1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3Cl)CC2)cc1
InChIInChI=1S/C17H18ClFN2O2S/c1-24(22,23)15-5-3-14(4-6-15)20-8-10-21(11-9-20)17-7-2-13(19)12-16(17)18/h2-7,12H,8-11H2,1H3
InChIKeyYYGOACZDSZEAHT-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine

1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine (PubChem CID 133451832) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
PubChem CID133451832
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3Cl)CC2)cc1
InChIInChI=1S/C17H18ClFN2O2S/c1-24(22,23)15-5-3-14(4-6-15)20-8-10-21(11-9-20)17-7-2-13(19)12-16(17)18/h2-7,12H,8-11H2,1H3
InChIKeyYYGOACZDSZEAHT-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171690872
1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 163357220
1-(2-chloro-4-methylsulfonylphenyl)piperazin-4-ium
CID 6930959
1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 145473250
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 5166097
1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
CID 3816055
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine (CID 133451832) is 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine is CS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
The InChIKey is YYGOACZDSZEAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c1-24(22,23)15-5-3-14(4-6-15)20-8-10-21(11-9-20)17-7-2-13(19)12-16(17)18/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine?
1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine has a molecular weight of 368.86 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 133451832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).