1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine

C17H18ClFN2O2S — CID 1306227

IUPAC1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18ClFN2O2S/c1-13-2-3-14(18)12-17(13)20-8-10-21(11-9-20)24(22,23)16-6-4-15(19)5-7-16/h2-7,12H,8-11H2,1H3
InChIKeyHBNZNHWIHPUMGT-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.30
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine

1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 1306227) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID1306227
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18ClFN2O2S/c1-13-2-3-14(18)12-17(13)20-8-10-21(11-9-20)24(22,23)16-6-4-15(19)5-7-16/h2-7,12H,8-11H2,1H3
InChIKeyHBNZNHWIHPUMGT-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine (CID 1306227) is 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is HBNZNHWIHPUMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c1-13-2-3-14(18)12-17(13)20-8-10-21(11-9-20)24(22,23)16-6-4-15(19)5-7-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
1-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)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-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1306227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).