5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one

C17H21N3O3S — CID 110865706

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(=O)[nH]c3)CC2)c1C
InChIInChI=1S/C17H21N3O3S/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)24(22,23)15-6-7-17(21)18-12-15/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyLPKIGISAGRDRHK-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.50
Rot. Bonds3

About 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 110865706) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID110865706
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(=O)[nH]c3)CC2)c1C
InChIInChI=1S/C17H21N3O3S/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)24(22,23)15-6-7-17(21)18-12-15/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyLPKIGISAGRDRHK-UHFFFAOYSA-N
XLogP1.50
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
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5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
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CID 19682911
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
N-[(2R)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168468
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
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1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
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1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one (CID 110865706) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(=O)[nH]c3)CC2)c1C.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is LPKIGISAGRDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)24(22,23)15-6-7-17(21)18-12-15/h3-7,12H,8-11H2,1-2H3,(H,18,21).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 347.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 110865706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).