3-(4-methylphenyl)sulfonylpyridazine

C11H10N2O2S — CID 70131415

IUPAC3-(4-methylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2cccnn2)cc1
InChIInChI=1S/C11H10N2O2S/c1-9-4-6-10(7-5-9)16(14,15)11-3-2-8-12-13-11/h2-8H,1H3
InChIKeyOQPKVAPHLGKZAZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.62
Rot. Bonds2

About 3-(4-methylphenyl)sulfonylpyridazine

3-(4-methylphenyl)sulfonylpyridazine (PubChem CID 70131415) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylpyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylpyridazine
PubChem CID70131415
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-(4-methylphenyl)sulfonylpyridazine
SMILESCc1ccc(S(=O)(=O)c2cccnn2)cc1
InChIInChI=1S/C11H10N2O2S/c1-9-4-6-10(7-5-9)16(14,15)11-3-2-8-12-13-11/h2-8H,1H3
InChIKeyOQPKVAPHLGKZAZ-UHFFFAOYSA-N
XLogP1.62
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylpyridazine?
The IUPAC name of 3-(4-methylphenyl)sulfonylpyridazine (CID 70131415) is 3-(4-methylphenyl)sulfonylpyridazine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylpyridazine?
The canonical SMILES for 3-(4-methylphenyl)sulfonylpyridazine is Cc1ccc(S(=O)(=O)c2cccnn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylpyridazine?
The InChIKey is OQPKVAPHLGKZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-9-4-6-10(7-5-9)16(14,15)11-3-2-8-12-13-11/h2-8H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonylpyridazine?
3-(4-methylphenyl)sulfonylpyridazine has a molecular weight of 234.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylpyridazine is sourced from PubChem (CID 70131415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).