6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine

C19H20N2O2S — CID 102512832

IUPAC6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine
SMILESCC1=CN(S(=O)(=O)c2ccc(C)cc2)NC(Cc2ccccc2)=C1
InChIInChI=1S/C19H20N2O2S/c1-15-8-10-19(11-9-15)24(22,23)21-14-16(2)12-18(20-21)13-17-6-4-3-5-7-17/h3-12,14,20H,13H2,1-2H3
InChIKeyADPBVYHDJGWYLQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.53
Rot. Bonds4

About 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine

6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine (PubChem CID 102512832) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine.

Molecular Properties

Compound Name6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine
PubChem CID102512832
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine
SMILESCC1=CN(S(=O)(=O)c2ccc(C)cc2)NC(Cc2ccccc2)=C1
InChIInChI=1S/C19H20N2O2S/c1-15-8-10-19(11-9-15)24(22,23)21-14-16(2)12-18(20-21)13-17-6-4-3-5-7-17/h3-12,14,20H,13H2,1-2H3
InChIKeyADPBVYHDJGWYLQ-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 11198203
2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
CID 53483626
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
(3S,5R)-5-benzyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 11035300
[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(2-phenylmethoxyethyl)aziridin-2-yl]methanol
CID 102469621
(3S)-3-benzyl-6-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 135070212
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
CID 127259597
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine?
The IUPAC name of 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine (CID 102512832) is 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine.
What is the SMILES notation for 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine?
The canonical SMILES for 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine is CC1=CN(S(=O)(=O)c2ccc(C)cc2)NC(Cc2ccccc2)=C1.
What is the InChIKey of 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine?
The InChIKey is ADPBVYHDJGWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15-8-10-19(11-9-15)24(22,23)21-14-16(2)12-18(20-21)13-17-6-4-3-5-7-17/h3-12,14,20H,13H2,1-2H3.
What are the key properties of 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine?
6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine has a molecular weight of 340.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine is sourced from PubChem (CID 102512832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).