2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

C24H19FN2O3S — CID 10203233

IUPAC2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cc(=O)n(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-15-23(28)27(16-17-5-3-2-4-6-17)26-24(22)19-7-11-20(25)12-8-19/h2-15H,16H2,1H3
InChIKeyAKFGBYFBZJUESI-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.17
Rot. Bonds5

About 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10203233) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10203233
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Name2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cc(=O)n(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-15-23(28)27(16-17-5-3-2-4-6-17)26-24(22)19-7-11-20(25)12-8-19/h2-15H,16H2,1H3
InChIKeyAKFGBYFBZJUESI-UHFFFAOYSA-N
XLogP4.17
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10203233) is 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cc(=O)n(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is AKFGBYFBZJUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-15-23(28)27(16-17-5-3-2-4-6-17)26-24(22)19-7-11-20(25)12-8-19/h2-15H,16H2,1H3.
What are the key properties of 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 434.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10203233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).