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

C24H18F2N2O3S — CID 19594999

IUPAC4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1cccc(-c2cnn(Cc3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H18F2N2O3S/c1-32(30,31)21-4-2-3-18(13-21)22-14-27-28(15-16-5-9-19(25)10-6-16)24(29)23(22)17-7-11-20(26)12-8-17/h2-14H,15H2,1H3
InChIKeyULEUDJKNLPDADF-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.31
Rot. Bonds5

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

4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 19594999) has the molecular formula C24H18F2N2O3S and a molecular weight of 452.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one
PubChem CID19594999
Molecular FormulaC24H18F2N2O3S
Molecular Weight452.48 g/mol
Exact Mass452.10
IUPAC Name4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1cccc(-c2cnn(Cc3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H18F2N2O3S/c1-32(30,31)21-4-2-3-18(13-21)22-14-27-28(15-16-5-9-19(25)10-6-16)24(29)23(22)17-7-11-20(26)12-8-17/h2-14H,15H2,1H3
InChIKeyULEUDJKNLPDADF-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 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one (CID 19594999) is 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1cccc(-c2cnn(Cc3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is ULEUDJKNLPDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3S/c1-32(30,31)21-4-2-3-18(13-21)22-14-27-28(15-16-5-9-19(25)10-6-16)24(29)23(22)17-7-11-20(26)12-8-17/h2-14H,15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one?
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-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 4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 19594999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).