4-[(4-methylphenyl)sulfonylmethyl]pyridazine

C12H12N2O2S — CID 15210875

IUPAC4-[(4-methylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(S(=O)(=O)Cc2ccnnc2)cc1
InChIInChI=1S/C12H12N2O2S/c1-10-2-4-12(5-3-10)17(15,16)9-11-6-7-13-14-8-11/h2-8H,9H2,1H3
InChIKeyUQSQXPNLJCBIBV-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.76
Rot. Bonds3

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

4-[(4-methylphenyl)sulfonylmethyl]pyridazine (PubChem CID 15210875) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylmethyl]pyridazine.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylmethyl]pyridazine
PubChem CID15210875
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-[(4-methylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(S(=O)(=O)Cc2ccnnc2)cc1
InChIInChI=1S/C12H12N2O2S/c1-10-2-4-12(5-3-10)17(15,16)9-11-6-7-13-14-8-11/h2-8H,9H2,1H3
InChIKeyUQSQXPNLJCBIBV-UHFFFAOYSA-N
XLogP1.76
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]pyridazine (CID 15210875) is 4-[(4-methylphenyl)sulfonylmethyl]pyridazine.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylmethyl]pyridazine is Cc1ccc(S(=O)(=O)Cc2ccnnc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
The InChIKey is UQSQXPNLJCBIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-10-2-4-12(5-3-10)17(15,16)9-11-6-7-13-14-8-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(4-methylphenyl)sulfonylmethyl]pyridazine?
4-[(4-methylphenyl)sulfonylmethyl]pyridazine has a molecular weight of 248.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylmethyl]pyridazine is sourced from PubChem (CID 15210875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).