5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one

C11H10N2O4S — CID 90969251

IUPAC5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
SMILESCOc1ccc(S(=O)(=O)c2ccn[nH]c2=O)cc1
InChIInChI=1S/C11H10N2O4S/c1-17-8-2-4-9(5-3-8)18(15,16)10-6-7-12-13-11(10)14/h2-7H,1H3,(H,13,14)
InChIKeyLWPIKWGLBNSTAE-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.61
Rot. Bonds3

About 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one

5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one (PubChem CID 90969251) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
PubChem CID90969251
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
SMILESCOc1ccc(S(=O)(=O)c2ccn[nH]c2=O)cc1
InChIInChI=1S/C11H10N2O4S/c1-17-8-2-4-9(5-3-8)18(15,16)10-6-7-12-13-11(10)14/h2-7H,1H3,(H,13,14)
InChIKeyLWPIKWGLBNSTAE-UHFFFAOYSA-N
XLogP0.61
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one (CID 90969251) is 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one is COc1ccc(S(=O)(=O)c2ccn[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
The InChIKey is LWPIKWGLBNSTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-17-8-2-4-9(5-3-8)18(15,16)10-6-7-12-13-11(10)14/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one has a molecular weight of 266.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 90969251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).