4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one

C17H16ClFN2O3S — CID 42847475

IUPAC4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c1-12-17(22)20(15-6-4-14(19)5-7-15)10-11-21(12)25(23,24)16-8-2-13(18)3-9-16/h2-9,12H,10-11H2,1H3
InChIKeyPLUBVQZUVWCDBC-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.91
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one

4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one (PubChem CID 42847475) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one
PubChem CID42847475
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c1-12-17(22)20(15-6-4-14(19)5-7-15)10-11-21(12)25(23,24)16-8-2-13(18)3-9-16/h2-9,12H,10-11H2,1H3
InChIKeyPLUBVQZUVWCDBC-UHFFFAOYSA-N
XLogP2.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one (CID 42847475) is 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
The InChIKey is PLUBVQZUVWCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-12-17(22)20(15-6-4-14(19)5-7-15)10-11-21(12)25(23,24)16-8-2-13(18)3-9-16/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one has a molecular weight of 382.84 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 42847475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).