2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid

C10H11FO5S — CID 103224424

IUPAC2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H11FO5S/c1-16-6-9(10(12)13)17(14,15)8-5-3-2-4-7(8)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyXLUZKVDQKPUYAW-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.70
Rot. Bonds5

About 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid

2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid (PubChem CID 103224424) has the molecular formula C10H11FO5S and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
PubChem CID103224424
Molecular FormulaC10H11FO5S
Molecular Weight262.26 g/mol
Exact Mass262.03
IUPAC Name2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H11FO5S/c1-16-6-9(10(12)13)17(14,15)8-5-3-2-4-7(8)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyXLUZKVDQKPUYAW-UHFFFAOYSA-N
XLogP0.70
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic 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

2-(3,4-difluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224429
methyl 3-(2-fluorophenyl)sulfonylbutanoate
CID 43536491
(3S)-3-(benzenesulfonyl)-4-methoxybutan-2-one
CID 15939088
2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
CID 103224583
4-amino-2-(2-methylphenyl)sulfonylbutanoic acid
CID 64693402
2-(2-methoxyphenyl)sulfonylpentanoic acid
CID 83037663
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979
1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993087
1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
CID 159777789
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
benzene;2-fluorobenzenesulfonic acid
CID 174946544
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid (CID 103224424) is 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid is COCC(C(=O)O)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid?
The InChIKey is XLUZKVDQKPUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5S/c1-16-6-9(10(12)13)17(14,15)8-5-3-2-4-7(8)11/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid?
2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid is sourced from PubChem (CID 103224424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).