3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one

C18H16N2O4S — CID 75527688

IUPAC3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one
SMILESCOc1ccc(S(=O)(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C18H16N2O4S/c1-13-3-5-14(6-4-13)20-12-11-17(21)18(19-20)25(22,23)16-9-7-15(24-2)8-10-16/h3-12H,1-2H3
InChIKeyLPTILLXZAWPUFK-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one

3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one (PubChem CID 75527688) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one
PubChem CID75527688
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one
SMILESCOc1ccc(S(=O)(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C18H16N2O4S/c1-13-3-5-14(6-4-13)20-12-11-17(21)18(19-20)25(22,23)16-9-7-15(24-2)8-10-16/h3-12H,1-2H3
InChIKeyLPTILLXZAWPUFK-UHFFFAOYSA-N
XLogP2.38
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
CID 170913262
3-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 66489916
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
CID 20865699
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
4-(4-chlorophenyl)sulfonyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole
CID 18825490
1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine
CID 71700723
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 60542205

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one (CID 75527688) is 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one is COc1ccc(S(=O)(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one?
The InChIKey is LPTILLXZAWPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-13-3-5-14(6-4-13)20-12-11-17(21)18(19-20)25(22,23)16-9-7-15(24-2)8-10-16/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one?
3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one has a molecular weight of 356.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)pyridazin-4-one is sourced from PubChem (CID 75527688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).