1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine

C17H18ClFN2O3S — CID 660922

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c1-24-17-12-15(6-7-16(17)18)25(22,23)21-10-8-20(9-11-21)14-4-2-13(19)3-5-14/h2-7,12H,8-11H2,1H3
InChIKeyLABDFAOKPOIAGQ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 660922) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID660922
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c1-24-17-12-15(6-7-16(17)18)25(22,23)21-10-8-20(9-11-21)14-4-2-13(19)3-5-14/h2-7,12H,8-11H2,1H3
InChIKeyLABDFAOKPOIAGQ-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 660922) is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is LABDFAOKPOIAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-24-17-12-15(6-7-16(17)18)25(22,23)21-10-8-20(9-11-21)14-4-2-13(19)3-5-14/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 384.86 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 660922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).