2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one

C24H17F3N2O3S — CID 142646708

IUPAC2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2nn(Cc3ccc(F)cc3F)c(=O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17F3N2O3S/c1-33(31,32)20-10-5-16(6-11-20)24-21(15-2-7-18(25)8-3-15)13-23(30)29(28-24)14-17-4-9-19(26)12-22(17)27/h2-13H,14H2,1H3
InChIKeyNANJNNOENVDJBU-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.45
Rot. Bonds5

About 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one

2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 142646708) has the molecular formula C24H17F3N2O3S and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID142646708
Molecular FormulaC24H17F3N2O3S
Molecular Weight470.47 g/mol
Exact Mass470.09
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2nn(Cc3ccc(F)cc3F)c(=O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17F3N2O3S/c1-33(31,32)20-10-5-16(6-11-20)24-21(15-2-7-18(25)8-3-15)13-23(30)29(28-24)14-17-4-9-19(26)12-22(17)27/h2-13H,14H2,1H3
InChIKeyNANJNNOENVDJBU-UHFFFAOYSA-N
XLogP4.45
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one (CID 142646708) is 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2nn(Cc3ccc(F)cc3F)c(=O)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is NANJNNOENVDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3S/c1-33(31,32)20-10-5-16(6-11-20)24-21(15-2-7-18(25)8-3-15)13-23(30)29(28-24)14-17-4-9-19(26)12-22(17)27/h2-13H,14H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one?
2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 470.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 142646708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).