2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one

C24H27N3O3S — CID 6625657

IUPAC2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one
SMILESCCCc1ccc(S(=O)(=O)N2CCC(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-2-6-19-9-11-22(12-10-19)31(29,30)26-17-15-20(16-18-26)23-13-14-24(28)27(25-23)21-7-4-3-5-8-21/h3-5,7-14,20H,2,6,15-18H2,1H3
InChIKeyQXVFHZAOXJMOTO-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.75
Rot. Bonds6

About 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one

2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one (PubChem CID 6625657) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one
PubChem CID6625657
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one
SMILESCCCc1ccc(S(=O)(=O)N2CCC(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-2-6-19-9-11-22(12-10-19)31(29,30)26-17-15-20(16-18-26)23-13-14-24(28)27(25-23)21-7-4-3-5-8-21/h3-5,7-14,20H,2,6,15-18H2,1H3
InChIKeyQXVFHZAOXJMOTO-UHFFFAOYSA-N
XLogP3.75
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one?
The IUPAC name of 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one (CID 6625657) is 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one is CCCc1ccc(S(=O)(=O)N2CCC(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one?
The InChIKey is QXVFHZAOXJMOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-2-6-19-9-11-22(12-10-19)31(29,30)26-17-15-20(16-18-26)23-13-14-24(28)27(25-23)21-7-4-3-5-8-21/h3-5,7-14,20H,2,6,15-18H2,1H3.
What are the key properties of 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one?
2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one has a molecular weight of 437.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 6625657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).