4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine

C18H16N2O2S — CID 11088632

IUPAC4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine
SMILESCc1ccc(S(=O)(=O)Cc2ccnnc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-7-9-17(10-8-14)23(21,22)13-16-11-12-19-20-18(16)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyQQXPDJWZPQBYJJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.43
Rot. Bonds4

About 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine

4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine (PubChem CID 11088632) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine
PubChem CID11088632
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine
SMILESCc1ccc(S(=O)(=O)Cc2ccnnc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-7-9-17(10-8-14)23(21,22)13-16-11-12-19-20-18(16)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyQQXPDJWZPQBYJJ-UHFFFAOYSA-N
XLogP3.43
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.43
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]-3-phenylpyridazine?
The IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine (CID 11088632) is 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine is Cc1ccc(S(=O)(=O)Cc2ccnnc2-c2ccccc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine?
The InChIKey is QQXPDJWZPQBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-14-7-9-17(10-8-14)23(21,22)13-16-11-12-19-20-18(16)15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine?
4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine has a molecular weight of 324.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazine is sourced from PubChem (CID 11088632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).