4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one

C17H16ClFN2O4S — CID 110604529

IUPAC4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O4S/c1-25-14-7-4-12(18)10-15(14)26(23,24)21-9-8-20-17(22)16(21)11-2-5-13(19)6-3-11/h2-7,10,16H,8-9H2,1H3,(H,20,22)
InChIKeyGKQGPIBGMJGALC-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.35
Rot. Bonds4

About 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one

4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 110604529) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
PubChem CID110604529
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O4S/c1-25-14-7-4-12(18)10-15(14)26(23,24)21-9-8-20-17(22)16(21)11-2-5-13(19)6-3-11/h2-7,10,16H,8-9H2,1H3,(H,20,22)
InChIKeyGKQGPIBGMJGALC-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
CID 110656903
4-(4-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63605732
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420094
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one (CID 110604529) is 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one is COc1ccc(Cl)cc1S(=O)(=O)N1CCNC(=O)C1c1ccc(F)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is GKQGPIBGMJGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c1-25-14-7-4-12(18)10-15(14)26(23,24)21-9-8-20-17(22)16(21)11-2-5-13(19)6-3-11/h2-7,10,16H,8-9H2,1H3,(H,20,22).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one?
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 398.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110604529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).