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

C23H16BrFN2O3S — CID 139947672

IUPAC2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(-c3ccccc3Br)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16BrFN2O3S/c1-31(29,30)18-12-8-15(9-13-18)19-14-26-27(21-5-3-2-4-20(21)24)23(28)22(19)16-6-10-17(25)11-7-16/h2-14H,1H3
InChIKeyGJAWIQPILOZFJY-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.87
Rot. Bonds4

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

2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 139947672) has the molecular formula C23H16BrFN2O3S and a molecular weight of 499.36 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID139947672
Molecular FormulaC23H16BrFN2O3S
Molecular Weight499.36 g/mol
Exact Mass498.00
IUPAC Name2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(-c3ccccc3Br)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16BrFN2O3S/c1-31(29,30)18-12-8-15(9-13-18)19-14-26-27(21-5-3-2-4-20(21)24)23(28)22(19)16-6-10-17(25)11-7-16/h2-14H,1H3
InChIKeyGJAWIQPILOZFJY-UHFFFAOYSA-N
XLogP4.87
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.87
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
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-phenoxyphenyl)pyridazin-3-one
CID 10142368
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
CID 10297026
4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 10296606
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
CID 174386856
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 10224932
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one
CID 10206370
2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one
CID 10138955
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-(3-methylsulfonylphenyl)pyridazin-3-one
CID 19594999
4-[1-benzyl-5-(4-fluorophenyl)-6-oxopyridazin-4-yl]benzenesulfonyl chloride
CID 10297916
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrrol-2-ol
CID 91155758

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 139947672) is 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(-c3ccccc3Br)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is GJAWIQPILOZFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN2O3S/c1-31(29,30)18-12-8-15(9-13-18)19-14-26-27(21-5-3-2-4-20(21)24)23(28)22(19)16-6-10-17(25)11-7-16/h2-14H,1H3.
What are the key properties of 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 499.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 139947672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).