2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone

C15H14O4S — CID 16750524

IUPAC2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O4S/c1-19-13-7-5-6-12(10-13)15(16)11-20(17,18)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyHHEJEAZSXBXRPO-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.35
Rot. Bonds5

About 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone

2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone (PubChem CID 16750524) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone
PubChem CID16750524
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O4S/c1-19-13-7-5-6-12(10-13)15(16)11-20(17,18)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyHHEJEAZSXBXRPO-UHFFFAOYSA-N
XLogP2.35
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone (CID 16750524) is 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is HHEJEAZSXBXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-13-7-5-6-12(10-13)15(16)11-20(17,18)14-8-3-2-4-9-14/h2-10H,11H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone?
2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 290.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 16750524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).