2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one

C23H23ClN2O3S — CID 143705945

IUPAC2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2ccc(=O)n(C3CCC(c4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-30(28,29)21-11-7-17(8-12-21)22-13-14-23(27)26(25-22)20-9-5-16(6-10-20)18-3-2-4-19(24)15-18/h2-4,7-8,11-16,20H,5-6,9-10H2,1H3
InChIKeyVGJSQDUMCKFGCP-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.87
Rot. Bonds4

About 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one

2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 143705945) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID143705945
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-c2ccc(=O)n(C3CCC(c4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-30(28,29)21-11-7-17(8-12-21)22-13-14-23(27)26(25-22)20-9-5-16(6-10-20)18-3-2-4-19(24)15-18/h2-4,7-8,11-16,20H,5-6,9-10H2,1H3
InChIKeyVGJSQDUMCKFGCP-UHFFFAOYSA-N
XLogP4.87
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one (CID 143705945) is 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-c2ccc(=O)n(C3CCC(c4cccc(Cl)c4)CC3)n2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is VGJSQDUMCKFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-30(28,29)21-11-7-17(8-12-21)22-13-14-23(27)26(25-22)20-9-5-16(6-10-20)18-3-2-4-19(24)15-18/h2-4,7-8,11-16,20H,5-6,9-10H2,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one?
2-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 442.97 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-[4-(3-chlorophenyl)cyclohexyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 143705945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).