3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one

C11H9ClN2O3S — CID 11587295

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H9ClN2O3S/c12-9-4-2-1-3-8(9)7-18(16,17)11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15)
InChIKeyUBYQBIRRQSZGKI-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.40
Rot. Bonds3

About 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one

3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one (PubChem CID 11587295) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one
PubChem CID11587295
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2ccccc2Cl)n[nH]1
InChIInChI=1S/C11H9ClN2O3S/c12-9-4-2-1-3-8(9)7-18(16,17)11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15)
InChIKeyUBYQBIRRQSZGKI-UHFFFAOYSA-N
XLogP1.40
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methylsulfonyl]-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 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one (CID 11587295) is 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)Cc2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The InChIKey is UBYQBIRRQSZGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c12-9-4-2-1-3-8(9)7-18(16,17)11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15).
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one has a molecular weight of 284.72 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11587295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).