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

C18H19ClN2O4S — CID 110420458

IUPAC4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-12-3-8-15(11-16(12)19)26(23,24)21-10-9-20-18(22)17(21)13-4-6-14(25-2)7-5-13/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyJATXTUWJMDHCSG-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.52
Rot. Bonds4

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

4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one (PubChem CID 110420458) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
PubChem CID110420458
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-12-3-8-15(11-16(12)19)26(23,24)21-10-9-20-18(22)17(21)13-4-6-14(25-2)7-5-13/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyJATXTUWJMDHCSG-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
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-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
CID 110644975
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
CID 110604529
4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110420326

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one (CID 110420458) is 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one is COc1ccc(C2C(=O)NCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one?
The InChIKey is JATXTUWJMDHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-12-3-8-15(11-16(12)19)26(23,24)21-10-9-20-18(22)17(21)13-4-6-14(25-2)7-5-13/h3-8,11,17H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one?
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one has a molecular weight of 394.88 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 110420458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).