2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone

C16H16O4S — CID 64637156

IUPAC2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
SMILESCOc1ccccc1S(=O)(=O)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16O4S/c1-12-7-9-13(10-8-12)14(17)11-21(18,19)16-6-4-3-5-15(16)20-2/h3-10H,11H2,1-2H3
InChIKeyHICQQAYQMIELPH-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.66
Rot. Bonds5

About 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone

2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone (PubChem CID 64637156) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
PubChem CID64637156
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
SMILESCOc1ccccc1S(=O)(=O)CC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16O4S/c1-12-7-9-13(10-8-12)14(17)11-21(18,19)16-6-4-3-5-15(16)20-2/h3-10H,11H2,1-2H3
InChIKeyHICQQAYQMIELPH-UHFFFAOYSA-N
XLogP2.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104756180
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone (CID 64637156) is 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone is COc1ccccc1S(=O)(=O)CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone?
The InChIKey is HICQQAYQMIELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-12-7-9-13(10-8-12)14(17)11-21(18,19)16-6-4-3-5-15(16)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone?
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone has a molecular weight of 304.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 64637156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).