2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C18H16Cl2N4O3S — CID 55475685

IUPAC2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12
InChIInChI=1S/C18H16Cl2N4O3S/c19-14-5-4-13(11-15(14)20)28(26,27)23-9-7-22(8-10-23)17-12-18(25)24-6-2-1-3-16(24)21-17/h1-6,11-12H,7-10H2
InChIKeyDSBAQGDOKMRPOR-UHFFFAOYSA-N
MW439.32 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55475685) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55475685
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12
InChIInChI=1S/C18H16Cl2N4O3S/c19-14-5-4-13(11-15(14)20)28(26,27)23-9-7-22(8-10-23)17-12-18(25)24-6-2-1-3-16(24)21-17/h1-6,11-12H,7-10H2
InChIKeyDSBAQGDOKMRPOR-UHFFFAOYSA-N
XLogP2.51
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 55475685) is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DSBAQGDOKMRPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/c19-14-5-4-13(11-15(14)20)28(26,27)23-9-7-22(8-10-23)17-12-18(25)24-6-2-1-3-16(24)21-17/h1-6,11-12H,7-10H2.
What are the key properties of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 439.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55475685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).