2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C18H17ClN4O3S — CID 55476216

IUPAC2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc2ccccn12
InChIInChI=1S/C18H17ClN4O3S/c19-14-5-1-2-6-15(14)27(25,26)22-11-9-21(10-12-22)17-13-18(24)23-8-4-3-7-16(23)20-17/h1-8,13H,9-12H2
InChIKeyYBZBTSYUMFQLLU-UHFFFAOYSA-N
MW404.88 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55476216) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55476216
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc2ccccn12
InChIInChI=1S/C18H17ClN4O3S/c19-14-5-1-2-6-15(14)27(25,26)22-11-9-21(10-12-22)17-13-18(24)23-8-4-3-7-16(23)20-17/h1-8,13H,9-12H2
InChIKeyYBZBTSYUMFQLLU-UHFFFAOYSA-N
XLogP1.86
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 55476216) is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YBZBTSYUMFQLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-14-5-1-2-6-15(14)27(25,26)22-11-9-21(10-12-22)17-13-18(24)23-8-4-3-7-16(23)20-17/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 404.88 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55476216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).