2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid

C9H8F2O5S — CID 117419189

IUPAC2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
SMILESCS(=O)(=O)c1ccc(C(O)C(=O)O)c(F)c1F
InChIInChI=1S/C9H8F2O5S/c1-17(15,16)5-3-2-4(6(10)7(5)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyYEWXWBGKCGLMJL-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.49
Rot. Bonds3

About 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid

2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid (PubChem CID 117419189) has the molecular formula C9H8F2O5S and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
PubChem CID117419189
Molecular FormulaC9H8F2O5S
Molecular Weight266.22 g/mol
Exact Mass266.01
IUPAC Name2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
SMILESCS(=O)(=O)c1ccc(C(O)C(=O)O)c(F)c1F
InChIInChI=1S/C9H8F2O5S/c1-17(15,16)5-3-2-4(6(10)7(5)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyYEWXWBGKCGLMJL-UHFFFAOYSA-N
XLogP0.49
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
3-(2,3-difluoro-4-methylsulfonylphenyl)butanal
CID 117409970
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
CID 117412232
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
CID 117373177
(2S)-2-amino-2-(5-fluoro-2-methylsulfonylphenyl)acetic acid
CID 66512702
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid (CID 117419189) is 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid is CS(=O)(=O)c1ccc(C(O)C(=O)O)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
The InChIKey is YEWXWBGKCGLMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O5S/c1-17(15,16)5-3-2-4(6(10)7(5)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid has a molecular weight of 266.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117419189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).