1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone

C14H8Cl2F2O2S — CID 64641141

IUPAC1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1cc(F)ccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2F2O2S/c15-8-1-3-11(16)10(5-8)13(19)7-21(20)14-6-9(17)2-4-12(14)18/h1-6H,7H2
InChIKeyQVTGMTKVQYRHGI-UHFFFAOYSA-N
MW349.19 g/mol
LogP4.26
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone

1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone (PubChem CID 64641141) has the molecular formula C14H8Cl2F2O2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
PubChem CID64641141
Molecular FormulaC14H8Cl2F2O2S
Molecular Weight349.19 g/mol
Exact Mass347.96
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1cc(F)ccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2F2O2S/c15-8-1-3-11(16)10(5-8)13(19)7-21(20)14-6-9(17)2-4-12(14)18/h1-6H,7H2
InChIKeyQVTGMTKVQYRHGI-UHFFFAOYSA-N
XLogP4.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone 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-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
CID 64638325
1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
CID 64639765
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
CID 64640302
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
CID 64638298

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone (CID 64641141) is 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone is O=C(CS(=O)c1cc(F)ccc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone?
The InChIKey is QVTGMTKVQYRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O2S/c15-8-1-3-11(16)10(5-8)13(19)7-21(20)14-6-9(17)2-4-12(14)18/h1-6H,7H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone?
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone has a molecular weight of 349.19 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone is sourced from PubChem (CID 64641141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).