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

C25H19FN2O3S — CID 174386856

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(C=Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H19FN2O3S/c1-32(30,31)22-13-9-19(10-14-22)23-17-27-28(16-15-18-5-3-2-4-6-18)25(29)24(23)20-7-11-21(26)12-8-20/h2-17H,1H3
InChIKeyKNHWVKQECPRZIE-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.75
Rot. Bonds5

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

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one (PubChem CID 174386856) has the molecular formula C25H19FN2O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
PubChem CID174386856
Molecular FormulaC25H19FN2O3S
Molecular Weight446.50 g/mol
Exact Mass446.11
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(C=Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H19FN2O3S/c1-32(30,31)22-13-9-19(10-14-22)23-17-27-28(16-15-18-5-3-2-4-6-18)25(29)24(23)20-7-11-21(26)12-8-20/h2-17H,1H3
InChIKeyKNHWVKQECPRZIE-UHFFFAOYSA-N
XLogP4.75
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 139947672
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-phenoxyphenyl)pyridazin-3-one
CID 10142368
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 10224932
4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 10296606
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one
CID 10206370
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
CID 10297026
4-[1-benzyl-5-(4-fluorophenyl)-6-oxopyridazin-4-yl]benzenesulfonyl chloride
CID 10297916
4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide
CID 68946774
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one
CID 19594999
4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxopyridazin-1-yl]acetyl]benzonitrile
CID 10117090

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one (CID 174386856) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(C=Cc3ccccc3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one?
The InChIKey is KNHWVKQECPRZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3S/c1-32(30,31)22-13-9-19(10-14-22)23-17-27-28(16-15-18-5-3-2-4-6-18)25(29)24(23)20-7-11-21(26)12-8-20/h2-17H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one has a molecular weight of 446.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one is sourced from PubChem (CID 174386856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).