2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one

C17H14N2O3S — CID 13482071

IUPAC2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C17H14N2O3S/c1-13-7-9-15(10-8-13)23(21,22)19-17(20)12-11-16(18-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyJUFGNVKHUTVVGM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one

2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one (PubChem CID 13482071) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
PubChem CID13482071
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C17H14N2O3S/c1-13-7-9-15(10-8-13)23(21,22)19-17(20)12-11-16(18-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyJUFGNVKHUTVVGM-UHFFFAOYSA-N
XLogP2.46
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one (CID 13482071) is 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one is Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one?
The InChIKey is JUFGNVKHUTVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-13-7-9-15(10-8-13)23(21,22)19-17(20)12-11-16(18-19)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one?
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one has a molecular weight of 326.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 13482071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).