2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone

C16H15FO2S — CID 64637459

IUPAC2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(S(=O)CC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H15FO2S/c1-11-6-7-16(12(2)8-11)20(19)10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyJSMVMNMOARUFJX-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.43
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone

2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone (PubChem CID 64637459) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
PubChem CID64637459
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(S(=O)CC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H15FO2S/c1-11-6-7-16(12(2)8-11)20(19)10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyJSMVMNMOARUFJX-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)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-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
3-(2,4-dimethylphenyl)sulfinyl-1-phenylpropan-1-one
CID 116694903
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
CID 97069827
1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone (CID 64637459) is 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone is Cc1ccc(S(=O)CC(=O)c2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone?
The InChIKey is JSMVMNMOARUFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-11-6-7-16(12(2)8-11)20(19)10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone?
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 64637459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).