1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone

C16H15FO5S — CID 75527706

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
SMILESCOc1ccc(C(=O)CS(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C16H15FO5S/c1-21-14-8-7-11(9-15(14)22-2)13(18)10-23(19,20)16-6-4-3-5-12(16)17/h3-9H,10H2,1-2H3
InChIKeyNZVDXVGBILRNEV-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.50
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone

1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone (PubChem CID 75527706) has the molecular formula C16H15FO5S and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
PubChem CID75527706
Molecular FormulaC16H15FO5S
Molecular Weight338.36 g/mol
Exact Mass338.06
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
SMILESCOc1ccc(C(=O)CS(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C16H15FO5S/c1-21-14-8-7-11(9-15(14)22-2)13(18)10-23(19,20)16-6-4-3-5-12(16)17/h3-9H,10H2,1-2H3
InChIKeyNZVDXVGBILRNEV-UHFFFAOYSA-N
XLogP2.50
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone 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

3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
2-(benzenesulfonyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 62916683
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
CID 64644347
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 8568876
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone (CID 75527706) is 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone is COc1ccc(C(=O)CS(=O)(=O)c2ccccc2F)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone?
The InChIKey is NZVDXVGBILRNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO5S/c1-21-14-8-7-11(9-15(14)22-2)13(18)10-23(19,20)16-6-4-3-5-12(16)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone?
1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone has a molecular weight of 338.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone is sourced from PubChem (CID 75527706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).