3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one

C13H17ClN2O3S — CID 110657423

IUPAC3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
SMILESCCCS(=O)(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-2-9-20(18,19)16-8-7-15-13(17)12(16)10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,17)
InChIKeyPVEDTDAMXJXHCQ-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.55
Rot. Bonds4

About 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one

3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one (PubChem CID 110657423) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
PubChem CID110657423
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
SMILESCCCS(=O)(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-2-9-20(18,19)16-8-7-15-13(17)12(16)10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,17)
InChIKeyPVEDTDAMXJXHCQ-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butylsulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657069
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
CID 110644975
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110419968
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
CID 124616795

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one (CID 110657423) is 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one is CCCS(=O)(=O)N1CCNC(=O)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one?
The InChIKey is PVEDTDAMXJXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-2-9-20(18,19)16-8-7-15-13(17)12(16)10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,17).
What are the key properties of 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one?
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one has a molecular weight of 316.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one is sourced from PubChem (CID 110657423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).