3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one

C19H21ClN2O3S — CID 110657437

IUPAC3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-13(2)14-7-9-15(10-8-14)26(24,25)22-12-11-21-19(23)18(22)16-5-3-4-6-17(16)20/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyXNLNPNPCMAIASN-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.33
Rot. Bonds4

About 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one

3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one (PubChem CID 110657437) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
PubChem CID110657437
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-13(2)14-7-9-15(10-8-14)26(24,25)22-12-11-21-19(23)18(22)16-5-3-4-6-17(16)20/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyXNLNPNPCMAIASN-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110420326
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657265
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
4-(4-chlorophenyl)sulfonyl-3-propan-2-ylpiperazin-2-one
CID 110873370
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one (CID 110657437) is 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one is CC(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one?
The InChIKey is XNLNPNPCMAIASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13(2)14-7-9-15(10-8-14)26(24,25)22-12-11-21-19(23)18(22)16-5-3-4-6-17(16)20/h3-10,13,18H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one?
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one has a molecular weight of 392.91 g/mol, XLogP of 3.33, 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-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110657437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).