3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine

C13H14N2O2S — CID 102037654

IUPAC3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2cc(C)nnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-9-4-6-12(7-5-9)18(16,17)13-8-10(2)14-15-11(13)3/h4-8H,1-3H3
InChIKeyZNAHWNGTNHZDOK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.23
Rot. Bonds2

About 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine

3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine (PubChem CID 102037654) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine.

Molecular Properties

Compound Name3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine
PubChem CID102037654
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2cc(C)nnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-9-4-6-12(7-5-9)18(16,17)13-8-10(2)14-15-11(13)3/h4-8H,1-3H3
InChIKeyZNAHWNGTNHZDOK-UHFFFAOYSA-N
XLogP2.23
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-(4-methylphenyl)sulfonylpyridazine
CID 26599054
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
2-(4-methylphenyl)sulfonylbenzenesulfonate
CID 22251002
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine?
The IUPAC name of 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine (CID 102037654) is 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine.
What is the SMILES notation for 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine?
The canonical SMILES for 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine is Cc1ccc(S(=O)(=O)c2cc(C)nnc2C)cc1.
What is the InChIKey of 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine?
The InChIKey is ZNAHWNGTNHZDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-4-6-12(7-5-9)18(16,17)13-8-10(2)14-15-11(13)3/h4-8H,1-3H3.
What are the key properties of 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine?
3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine has a molecular weight of 262.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine is sourced from PubChem (CID 102037654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).