3-methyl-6-(4-methylphenyl)sulfonylpyridazine

C12H12N2O2S — CID 26599054

IUPAC3-methyl-6-(4-methylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2ccc(C)nn2)cc1
InChIInChI=1S/C12H12N2O2S/c1-9-3-6-11(7-4-9)17(15,16)12-8-5-10(2)13-14-12/h3-8H,1-2H3
InChIKeyUEQIOBKHSAWMBD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.93
Rot. Bonds2

About 3-methyl-6-(4-methylphenyl)sulfonylpyridazine

3-methyl-6-(4-methylphenyl)sulfonylpyridazine (PubChem CID 26599054) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)sulfonylpyridazine.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)sulfonylpyridazine
PubChem CID26599054
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-methyl-6-(4-methylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2ccc(C)nn2)cc1
InChIInChI=1S/C12H12N2O2S/c1-9-3-6-11(7-4-9)17(15,16)12-8-5-10(2)13-14-12/h3-8H,1-2H3
InChIKeyUEQIOBKHSAWMBD-UHFFFAOYSA-N
XLogP1.93
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-4-(4-methylphenyl)sulfonylpyridazine
CID 102037654
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
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
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone
CID 70960232
6-methyl-2-(4-methylphenyl)sulfonylpyridine-3-carboxylic acid
CID 97032799
4-methylbenzenesulfonic acid
CID 157221593
2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 167434977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)sulfonylpyridazine?
The IUPAC name of 3-methyl-6-(4-methylphenyl)sulfonylpyridazine (CID 26599054) is 3-methyl-6-(4-methylphenyl)sulfonylpyridazine.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)sulfonylpyridazine?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)sulfonylpyridazine is Cc1ccc(S(=O)(=O)c2ccc(C)nn2)cc1.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)sulfonylpyridazine?
The InChIKey is UEQIOBKHSAWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-3-6-11(7-4-9)17(15,16)12-8-5-10(2)13-14-12/h3-8H,1-2H3.
What are the key properties of 3-methyl-6-(4-methylphenyl)sulfonylpyridazine?
3-methyl-6-(4-methylphenyl)sulfonylpyridazine has a molecular weight of 248.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)sulfonylpyridazine is sourced from PubChem (CID 26599054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).