2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid

C10H9F4NO4S — CID 63037370

IUPAC2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H9F4NO4S/c1-5(9(16)17)20(18,19)15-8-4-6(10(12,13)14)2-3-7(8)11/h2-5,15H,1H3,(H,16,17)
InChIKeyARWOMCWOHVFUHA-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.06
Rot. Bonds4

About 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid

2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 63037370) has the molecular formula C10H9F4NO4S and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
PubChem CID63037370
Molecular FormulaC10H9F4NO4S
Molecular Weight315.24 g/mol
Exact Mass315.02
IUPAC Name2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H9F4NO4S/c1-5(9(16)17)20(18,19)15-8-4-6(10(12,13)14)2-3-7(8)11/h2-5,15H,1H3,(H,16,17)
InChIKeyARWOMCWOHVFUHA-UHFFFAOYSA-N
XLogP2.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic 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-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 58198696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid (CID 63037370) is 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is ARWOMCWOHVFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4S/c1-5(9(16)17)20(18,19)15-8-4-6(10(12,13)14)2-3-7(8)11/h2-5,15H,1H3,(H,16,17).
What are the key properties of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 315.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 63037370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).