2-(2,4-difluorophenyl)sulfonylpropanoic acid

C9H8F2O4S — CID 43345424

IUPAC2-(2,4-difluorophenyl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O4S/c1-5(9(12)13)16(14,15)8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKeyHEJCPCBSRCECJO-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.21
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfonylpropanoic acid

2-(2,4-difluorophenyl)sulfonylpropanoic acid (PubChem CID 43345424) has the molecular formula C9H8F2O4S and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonylpropanoic acid
PubChem CID43345424
Molecular FormulaC9H8F2O4S
Molecular Weight250.22 g/mol
Exact Mass250.01
IUPAC Name2-(2,4-difluorophenyl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O4S/c1-5(9(12)13)16(14,15)8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKeyHEJCPCBSRCECJO-UHFFFAOYSA-N
XLogP1.21
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfonylpropanoic 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

3-(2,4-difluorophenyl)sulfonylbutanoic acid
CID 43536511
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
CID 42962648
(E)-3-(2,4-difluorophenyl)sulfonylprop-2-enoic acid
CID 106435694
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonylpropanoic acid?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonylpropanoic acid (CID 43345424) is 2-(2,4-difluorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonylpropanoic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonylpropanoic acid?
The InChIKey is HEJCPCBSRCECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4S/c1-5(9(12)13)16(14,15)8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(2,4-difluorophenyl)sulfonylpropanoic acid?
2-(2,4-difluorophenyl)sulfonylpropanoic acid has a molecular weight of 250.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 43345424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).