2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid

C14H10F2O2S — CID 43236032

IUPAC2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
SMILESC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=C(C=C2)F)F
InChIInChI=1S/C14H10F2O2S/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyDVDAIOQKIUPXRT-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.90
Rot. Bonds4

About 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid

2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid (PubChem CID 43236032) has the molecular formula C14H10F2O2S and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid
PubChem CID43236032
Molecular FormulaC14H10F2O2S
Molecular Weight280.29 g/mol
Exact Mass280.04
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
SMILESC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=C(C=C2)F)F
InChIInChI=1S/C14H10F2O2S/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKeyDVDAIOQKIUPXRT-UHFFFAOYSA-N
XLogP3.90
TPSA62.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid 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

6,8-Bis((phenylmethyl)thio)octanoic acid
CID 24770514
Sulindac Sulfide
CID 5352624
2,2'-Sulfanediylbis(phenylacetic acid)
CID 269264
(Z)-2'-des-methyl sulindac sulfide
CID 44224199
4-(Methylthio)phenylacetic acid
CID 4983912
2-(3''-Ethylsulfanyl-biphenyl-4-yl)-propionic acid
CID 9817355
2-Desmethylsulindac Sulfide
CID 11688434
2-(4-Fluorophenyl)-2-sulfanylacetic acid
CID 14849575
(E)-2-(5-Fluoro-1-(4-(trifluoromethylthio)benzylidene)-1H-inden-3-yl)ethanoic acid
CID 25034407
Acetic acid, (o-(phenylthio)phenyl)-
CID 15211
Benzeneacetic acid, 4-((1-methylethyl)thio)-
CID 198975
Benzeneacetic acid, alpha-methyl-2-(phenylthio)-
CID 3041924

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid?
The IUPAC name of 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid (CID 43236032) is 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid is C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=C(C=C2)F)F.
What is the InChIKey of 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid?
The InChIKey is DVDAIOQKIUPXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2S/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18).
What are the key properties of 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid?
2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid has a molecular weight of 280.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-Difluorophenyl)sulfanyl]-2-phenylacetic acid is sourced from PubChem (CID 43236032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).