3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one

C11H10N2O4S — CID 46507902

IUPAC3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
SMILESCOc1cccc(S(=O)(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H10N2O4S/c1-17-8-3-2-4-9(7-8)18(15,16)11-6-5-10(14)12-13-11/h2-7H,1H3,(H,12,14)
InChIKeySLOAROROJWSYRY-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.61
Rot. Bonds3

About 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one

3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one (PubChem CID 46507902) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
PubChem CID46507902
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
SMILESCOc1cccc(S(=O)(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H10N2O4S/c1-17-8-3-2-4-9(7-8)18(15,16)11-6-5-10(14)12-13-11/h2-7H,1H3,(H,12,14)
InChIKeySLOAROROJWSYRY-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 3-(3-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

Related Compounds

3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437731
3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437732
3-methoxybenzenesulfonic acid;3-methylideneaziridin-2-one
CID 174654419
3-methoxybenzenesulfonamide
CID 14763060
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
(3S)-3-(3-methoxyphenyl)sulfonyl-2,3-dihydro-1H-pyrrole
CID 124578461
(3-methoxyphenyl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate
CID 71902122
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one (CID 46507902) is 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one is COc1cccc(S(=O)(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
The InChIKey is SLOAROROJWSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-17-8-3-2-4-9(7-8)18(15,16)11-6-5-10(14)12-13-11/h2-7H,1H3,(H,12,14).
What are the key properties of 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one?
3-(3-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 3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 46507902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).