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

C24H18F2N2O3S — CID 10161202

IUPAC6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18F2N2O3S/c1-32(30,31)21-12-6-17(7-13-21)22-14-23(29)28(15-16-2-8-19(25)9-3-16)27-24(22)18-4-10-20(26)11-5-18/h2-14H,15H2,1H3
InChIKeyCBXPTSMLKPJUSL-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.31
Rot. Bonds5

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

6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10161202) has the molecular formula C24H18F2N2O3S and a molecular weight of 452.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10161202
Molecular FormulaC24H18F2N2O3S
Molecular Weight452.48 g/mol
Exact Mass452.10
IUPAC Name6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18F2N2O3S/c1-32(30,31)21-12-6-17(7-13-21)22-14-23(29)28(15-16-2-8-19(25)9-3-16)27-24(22)18-4-10-20(26)11-5-18/h2-14H,15H2,1H3
InChIKeyCBXPTSMLKPJUSL-UHFFFAOYSA-N
XLogP4.31
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10161202) is 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is CBXPTSMLKPJUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3S/c1-32(30,31)21-12-6-17(7-13-21)22-14-23(29)28(15-16-2-8-19(25)9-3-16)27-24(22)18-4-10-20(26)11-5-18/h2-14H,15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 452.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10161202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).