3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one

C17H17ClN2O3S — CID 110657427

IUPAC3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-12-6-8-13(9-7-12)24(22,23)20-11-10-19-17(21)16(20)14-4-2-3-5-15(14)18/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKeyWKXLUVLVXUVYDI-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one

3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one (PubChem CID 110657427) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
PubChem CID110657427
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-12-6-8-13(9-7-12)24(22,23)20-11-10-19-17(21)16(20)14-4-2-3-5-15(14)18/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKeyWKXLUVLVXUVYDI-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657265
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one
CID 110657262
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657318

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one (CID 110657427) is 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one is Cc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one?
The InChIKey is WKXLUVLVXUVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-12-6-8-13(9-7-12)24(22,23)20-11-10-19-17(21)16(20)14-4-2-3-5-15(14)18/h2-9,16H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one?
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one has a molecular weight of 364.85 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110657427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).