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

C24H25FN2O3S — CID 15431541

IUPAC2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(CC3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-15-26-27(16-17-5-3-2-4-6-17)24(28)23(22)19-7-11-20(25)12-8-19/h7-15,17H,2-6,16H2,1H3
InChIKeyVSFNTSQLLVIKMG-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.70
Rot. Bonds5

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

2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 15431541) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID15431541
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(CC3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-15-26-27(16-17-5-3-2-4-6-17)24(28)23(22)19-7-11-20(25)12-8-19/h7-15,17H,2-6,16H2,1H3
InChIKeyVSFNTSQLLVIKMG-UHFFFAOYSA-N
XLogP4.70
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3Q4QR6LA4J
CID 9930747
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-(3-methyl-but-2-enyl)-2H-pyridazin-3-one
CID 10201744
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-((1S,2S)-2-methyl-cyclopropylmethyl)-2H-pyridazin-3-one
CID 10251114
2-Benzyl-5-(4-methanesulfonyl-phenyl)-4-p-tolyl-2H-pyridazin-3-one
CID 15431540
5-(4-Methanesulfonyl-phenyl)-4-phenyl-2-(2,2,2-trifluoro-ethyl)-2H-pyridazin-3-one
CID 17919591
2-Benzyl-5-(4-methanesulfonyl-phenyl)-4-phenyl-2H-pyridazin-3-one
CID 17919592
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-ylmethyl-2H-pyridazin-3-one
CID 17919602
2-Cyclopropylmethyl-5-(4-methanesulfonyl-phenyl)-4-phenyl-2H-pyridazin-3-one
CID 17919604
2-methyl-5-(4-(methylsulfonyl)phenyl)-4-phenylpyridazin-3(2H)-one
CID 44370744
2-Cyclopropyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
CID 44370786
2-(2,2-Dimethyl-cyclopropylmethyl)-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
CID 44370479
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-((1R,2R)-2-methyl-cyclopropylmethyl)-2H-pyridazin-3-one
CID 44370496

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 15431541) is 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(CC3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is VSFNTSQLLVIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-15-26-27(16-17-5-3-2-4-6-17)24(28)23(22)19-7-11-20(25)12-8-19/h7-15,17H,2-6,16H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 440.54 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 15431541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).