4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one

C17H16Cl2N2O3S — CID 110657267

IUPAC4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-11-4-2-3-5-13(11)16-17(22)20-8-9-21(16)25(23,24)12-6-7-14(18)15(19)10-12/h2-7,10,16H,8-9H2,1H3,(H,20,22)
InChIKeyQCRMVQWCUUXARD-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.16
Rot. Bonds3

About 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one

4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one (PubChem CID 110657267) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
PubChem CID110657267
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-11-4-2-3-5-13(11)16-17(22)20-8-9-21(16)25(23,24)12-6-7-14(18)15(19)10-12/h2-7,10,16H,8-9H2,1H3,(H,20,22)
InChIKeyQCRMVQWCUUXARD-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(2-methylphenyl)piperazin-2-one
CID 110657306
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]sulfonylbenzonitrile
CID 110657321

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one (CID 110657267) is 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is QCRMVQWCUUXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-11-4-2-3-5-13(11)16-17(22)20-8-9-21(16)25(23,24)12-6-7-14(18)15(19)10-12/h2-7,10,16H,8-9H2,1H3,(H,20,22).
What are the key properties of 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 399.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).