3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one

C15H16ClN3O3S — CID 58724188

IUPAC3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H16ClN3O3S/c16-12-4-1-2-6-14(12)23(21,22)19-10-8-18(9-11-19)13-5-3-7-17-15(13)20/h1-7H,8-11H2,(H,17,20)
InChIKeyZMWHOTPLNHFGPP-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.54
Rot. Bonds3

About 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one

3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one (PubChem CID 58724188) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one
PubChem CID58724188
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H16ClN3O3S/c16-12-4-1-2-6-14(12)23(21,22)19-10-8-18(9-11-19)13-5-3-7-17-15(13)20/h1-7H,8-11H2,(H,17,20)
InChIKeyZMWHOTPLNHFGPP-UHFFFAOYSA-N
XLogP1.54
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
1-(2-chlorophenyl)sulfonyl-4-(1H-1,2,4-triazol-5-yl)piperazine
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[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167691
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
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1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646869
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110418724
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 2746542

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one (CID 58724188) is 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one is O=c1[nH]cccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is ZMWHOTPLNHFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-12-4-1-2-6-14(12)23(21,22)19-10-8-18(9-11-19)13-5-3-7-17-15(13)20/h1-7H,8-11H2,(H,17,20).
What are the key properties of 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one?
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 353.83 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58724188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).