2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid

C9H9F2NO4S — CID 117416606

IUPAC2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid
SMILESCS(=O)(=O)c1cc(F)cc(C(N)C(=O)O)c1F
InChIInChI=1S/C9H9F2NO4S/c1-17(15,16)6-3-4(10)2-5(7(6)11)8(12)9(13)14/h2-3,8H,12H2,1H3,(H,13,14)
InChIKeyLOJIRGWYXFVZEZ-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid

2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid (PubChem CID 117416606) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid
PubChem CID117416606
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid
SMILESCS(=O)(=O)c1cc(F)cc(C(N)C(=O)O)c1F
InChIInChI=1S/C9H9F2NO4S/c1-17(15,16)6-3-4(10)2-5(7(6)11)8(12)9(13)14/h2-3,8H,12H2,1H3,(H,13,14)
InChIKeyLOJIRGWYXFVZEZ-UHFFFAOYSA-N
XLogP0.45
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic 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

(2S)-2-amino-2-(5-fluoro-2-methylsulfonylphenyl)acetic acid
CID 66512702
(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
CID 130632470
2-amino-2-(2-methylsulfanyl-3-methylsulfonylphenyl)acetic acid
CID 117440393
2-amino-2-(4-methoxy-2-methylsulfonylphenyl)acetic acid
CID 84806180
3-(2,5-difluoro-3-methylsulfonylphenyl)propanoic acid
CID 117414591
2-amino-3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117470379
1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol
CID 117378627
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
CID 84807691
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
CID 77129186
ethyl 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-oxoacetate
CID 117471823

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid (CID 117416606) is 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid is CS(=O)(=O)c1cc(F)cc(C(N)C(=O)O)c1F.
What is the InChIKey of 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid?
The InChIKey is LOJIRGWYXFVZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c1-17(15,16)6-3-4(10)2-5(7(6)11)8(12)9(13)14/h2-3,8H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid?
2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid has a molecular weight of 265.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid is sourced from PubChem (CID 117416606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).