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

C23H23FN2O3S — CID 10296054

IUPAC2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(C3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-26(19-5-3-2-4-6-19)23(27)22(21)17-7-11-18(24)12-8-17/h7-15,19H,2-6H2,1H3
InChIKeyWSUUNWCFCJZKBR-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.63
Rot. Bonds4

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

2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10296054) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10296054
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2cnn(C3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-26(19-5-3-2-4-6-19)23(27)22(21)17-7-11-18(24)12-8-17/h7-15,19H,2-6H2,1H3
InChIKeyWSUUNWCFCJZKBR-UHFFFAOYSA-N
XLogP4.63
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10296054) is 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2cnn(C3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is WSUUNWCFCJZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-26(19-5-3-2-4-6-19)23(27)22(21)17-7-11-18(24)12-8-17/h7-15,19H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 426.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10296054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).