4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one

C18H19ClN2O3S — CID 110657640

IUPAC4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(C2C(=O)NCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-12-4-3-5-14(10-12)17-18(22)20-8-9-21(17)25(23,24)15-7-6-13(2)16(19)11-15/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,22)
InChIKeyAEYYGTQOOBPPPZ-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one

4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one (PubChem CID 110657640) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
PubChem CID110657640
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(C2C(=O)NCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-12-4-3-5-14(10-12)17-18(22)20-8-9-21(17)25(23,24)15-7-6-13(2)16(19)11-15/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,22)
InChIKeyAEYYGTQOOBPPPZ-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
3-(3-methylphenyl)-4-methylsulfonylpiperazin-2-one
CID 110657603
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]sulfonylbenzonitrile
CID 110657677
3-(3-methylphenyl)-4-[(3-methylphenyl)methylsulfonyl]piperazin-2-one
CID 110657643
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657636
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one (CID 110657640) is 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one is Cc1cccc(C2C(=O)NCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
The InChIKey is AEYYGTQOOBPPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-12-4-3-5-14(10-12)17-18(22)20-8-9-21(17)25(23,24)15-7-6-13(2)16(19)11-15/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one has a molecular weight of 378.88 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).