3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine

C13H14N2O2S — CID 15210876

IUPAC3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(S(=O)(=O)Cc2ccnnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-3-5-13(6-4-10)18(16,17)9-12-7-8-14-15-11(12)2/h3-8H,9H2,1-2H3
InChIKeyFYTUVSYFEPDPDB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine

3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine (PubChem CID 15210876) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine.

Molecular Properties

Compound Name3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
PubChem CID15210876
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(S(=O)(=O)Cc2ccnnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-3-5-13(6-4-10)18(16,17)9-12-7-8-14-15-11(12)2/h3-8H,9H2,1-2H3
InChIKeyFYTUVSYFEPDPDB-UHFFFAOYSA-N
XLogP2.07
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The IUPAC name of 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine (CID 15210876) is 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine.
What is the SMILES notation for 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The canonical SMILES for 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine is Cc1ccc(S(=O)(=O)Cc2ccnnc2C)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The InChIKey is FYTUVSYFEPDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-3-5-13(6-4-10)18(16,17)9-12-7-8-14-15-11(12)2/h3-8H,9H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine has a molecular weight of 262.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylphenyl)sulfonylmethyl]pyridazine is sourced from PubChem (CID 15210876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).