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

C24H17F3N2O3S — CID 10050387

IUPAC2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H17F3N2O3S/c1-33(31,32)19-8-5-16(6-9-19)21-14-28-29(18-7-10-22(26)23(27)13-18)24(30)20(21)12-15-3-2-4-17(25)11-15/h2-11,13-14H,12H2,1H3
InChIKeyHKEGVDKDHCSUOD-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.31
Rot. Bonds5

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

2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10050387) has the molecular formula C24H17F3N2O3S and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10050387
Molecular FormulaC24H17F3N2O3S
Molecular Weight470.47 g/mol
Exact Mass470.09
IUPAC Name2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H17F3N2O3S/c1-33(31,32)19-8-5-16(6-9-19)21-14-28-29(18-7-10-22(26)23(27)13-18)24(30)20(21)12-15-3-2-4-17(25)11-15/h2-11,13-14H,12H2,1H3
InChIKeyHKEGVDKDHCSUOD-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10050387) is 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is HKEGVDKDHCSUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3S/c1-33(31,32)19-8-5-16(6-9-19)21-14-28-29(18-7-10-22(26)23(27)13-18)24(30)20(21)12-15-3-2-4-17(25)11-15/h2-11,13-14H,12H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 470.47 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 2-(3,4-difluorophenyl)-4-[(3-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).