3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one

C18H19ClN2O5S — CID 110657445

IUPAC3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O5S/c1-25-15-8-7-12(11-16(15)26-2)27(23,24)21-10-9-20-18(22)17(21)13-5-3-4-6-14(13)19/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyVZUPDYVPZWIKEP-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one

3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one (PubChem CID 110657445) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
PubChem CID110657445
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O5S/c1-25-15-8-7-12(11-16(15)26-2)27(23,24)21-10-9-20-18(22)17(21)13-5-3-4-6-14(13)19/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyVZUPDYVPZWIKEP-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 39965163
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
2-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110326908
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657265
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-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one (CID 110657445) is 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one is COc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one?
The InChIKey is VZUPDYVPZWIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-15-8-7-12(11-16(15)26-2)27(23,24)21-10-9-20-18(22)17(21)13-5-3-4-6-14(13)19/h3-8,11,17H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one?
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one has a molecular weight of 410.88 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110657445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).