5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one

C18H18N2O3S — CID 13482072

IUPAC5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C(C)CC2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-17(21)12-14(2)18(19-20)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3
InChIKeyGEFMEOIKJUOWKF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.96
Rot. Bonds3

About 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one

5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 13482072) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID13482072
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C(C)CC2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-17(21)12-14(2)18(19-20)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3
InChIKeyGEFMEOIKJUOWKF-UHFFFAOYSA-N
XLogP2.96
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 102531502
(3R,3aS)-3-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5-one
CID 101110390
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole
CID 162415671
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-7-phenyl-2,3-dihydroazepine
CID 155934670
(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
CID 135063034
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one (CID 13482072) is 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one is Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C(C)CC2=O)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is GEFMEOIKJUOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-17(21)12-14(2)18(19-20)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one?
5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 342.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 13482072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).