1-(4-ethylsulfonylphenyl)ethanone

C10H12O3S — CID 14507740

IUPAC1-(4-ethylsulfonylphenyl)ethanone
SMILESCCS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O3S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
InChIKeyKICSQJXULGTAGC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-ethylsulfonylphenyl)ethanone

1-(4-ethylsulfonylphenyl)ethanone (PubChem CID 14507740) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)ethanone
PubChem CID14507740
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name1-(4-ethylsulfonylphenyl)ethanone
SMILESCCS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O3S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
InChIKeyKICSQJXULGTAGC-UHFFFAOYSA-N
XLogP1.68
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-ethylsulfonylphenyl)ethanone (CID 14507740) is 1-(4-ethylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)ethanone is CCS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)ethanone?
The InChIKey is KICSQJXULGTAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3.
What are the key properties of 1-(4-ethylsulfonylphenyl)ethanone?
1-(4-ethylsulfonylphenyl)ethanone has a molecular weight of 212.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)ethanone is sourced from PubChem (CID 14507740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).