2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone

C15H13ClO4S — CID 11232581

IUPAC2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO4S/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3
InChIKeyZSAJAJYLNTXYAK-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone

2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 11232581) has the molecular formula C15H13ClO4S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID11232581
Molecular FormulaC15H13ClO4S
Molecular Weight324.79 g/mol
Exact Mass324.02
IUPAC Name2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO4S/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3
InChIKeyZSAJAJYLNTXYAK-UHFFFAOYSA-N
XLogP3.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone (CID 11232581) is 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is ZSAJAJYLNTXYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4S/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 324.79 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 11232581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).