4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

C24H19FN2O3S — CID 10296606

IUPAC4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C24H19FN2O3S/c1-16-4-3-5-20(14-16)27-24(28)23(18-6-10-19(25)11-7-18)22(15-26-27)17-8-12-21(13-9-17)31(2,29)30/h3-15H,1-2H3
InChIKeyQCBOFMYNMKFLKG-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.42
Rot. Bonds4

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

4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10296606) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10296606
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Name4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C24H19FN2O3S/c1-16-4-3-5-20(14-16)27-24(28)23(18-6-10-19(25)11-7-18)22(15-26-27)17-8-12-21(13-9-17)31(2,29)30/h3-15H,1-2H3
InChIKeyQCBOFMYNMKFLKG-UHFFFAOYSA-N
XLogP4.42
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10296606) is 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is Cc1cccc(-n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is QCBOFMYNMKFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-16-4-3-5-20(14-16)27-24(28)23(18-6-10-19(25)11-7-18)22(15-26-27)17-8-12-21(13-9-17)31(2,29)30/h3-15H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 434.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10296606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).