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

C17H16Cl2N2O4S — CID 110656949

IUPAC4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O4S/c1-25-14-6-5-13(19)10-15(14)26(23,24)21-8-7-20-17(22)16(21)11-3-2-4-12(18)9-11/h2-6,9-10,16H,7-8H2,1H3,(H,20,22)
InChIKeyHROCVHPPPKYQLI-UHFFFAOYSA-N
MW415.30 g/mol
LogP2.86
Rot. Bonds4

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

4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one (PubChem CID 110656949) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
PubChem CID110656949
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCNC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O4S/c1-25-14-6-5-13(19)10-15(14)26(23,24)21-8-7-20-17(22)16(21)11-3-2-4-12(18)9-11/h2-6,9-10,16H,7-8H2,1H3,(H,20,22)
InChIKeyHROCVHPPPKYQLI-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
CID 110604529
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
CID 110656903
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
4-(4-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63605732
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylazepane
CID 121146270

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one (CID 110656949) is 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one is COc1ccc(Cl)cc1S(=O)(=O)N1CCNC(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
The InChIKey is HROCVHPPPKYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c1-25-14-6-5-13(19)10-15(14)26(23,24)21-8-7-20-17(22)16(21)11-3-2-4-12(18)9-11/h2-6,9-10,16H,7-8H2,1H3,(H,20,22).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one has a molecular weight of 415.30 g/mol, XLogP of 2.86, 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-(3-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 110656949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).