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

C11H14O4S — CID 64643903

IUPAC2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
SMILESCCS(=O)(=O)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C11H14O4S/c1-3-16(13,14)8-11(12)9-5-4-6-10(7-9)15-2/h4-7H,3,8H2,1-2H3
InChIKeyNPWLMMJRGCZEQZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.31
Rot. Bonds5

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

2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone (PubChem CID 64643903) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
PubChem CID64643903
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
SMILESCCS(=O)(=O)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C11H14O4S/c1-3-16(13,14)8-11(12)9-5-4-6-10(7-9)15-2/h4-7H,3,8H2,1-2H3
InChIKeyNPWLMMJRGCZEQZ-UHFFFAOYSA-N
XLogP1.31
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminobutylsulfonyl)-1-(3-methoxyphenyl)ethanone
CID 82180368
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
2-ethylsulfonyl-1-phenylethanone
CID 19033550
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone (CID 64643903) is 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone is CCS(=O)(=O)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone?
The InChIKey is NPWLMMJRGCZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-3-16(13,14)8-11(12)9-5-4-6-10(7-9)15-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone?
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone has a molecular weight of 242.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 64643903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).