3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid

C13H12FNO4S2 — CID 5296326

IUPAC3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H12FNO4S2/c14-10-5-3-9(4-6-10)8-11(13(16)17)15-21(18,19)12-2-1-7-20-12/h1-7,11,15H,8H2,(H,16,17)
InChIKeyFBGKILFFMQHQCM-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.86
Rot. Bonds6

About 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid

3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid (PubChem CID 5296326) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid
PubChem CID5296326
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Name3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H12FNO4S2/c14-10-5-3-9(4-6-10)8-11(13(16)17)15-21(18,19)12-2-1-7-20-12/h1-7,11,15H,8H2,(H,16,17)
InChIKeyFBGKILFFMQHQCM-UHFFFAOYSA-N
XLogP1.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)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

N-(4-Fluorobenzene-1-sulfonyl)phenylalanine
CID 2774749
2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid
CID 4306115
3-(4-Methylbenzenesulfonamido)-3-(thiophen-2-YL)propanoic acid
CID 4259970
3-Phenyl-2-(thiophene-2-sulfonylamino)-propionic acid
CID 3144942
4-[5-[4,4,5,5,6,6,7,7,7-Nonafluoro-1-[(4-fluorophenyl)sulfonylamino]heptyl]thiophen-2-yl]butanoic acid
CID 9895003
4-[5-[1-[(4-Fluorophenyl)sulfonylamino]-5-methylhexyl]thiophen-2-yl]butanoic acid
CID 44213735
4-[5-[5,5,6,6,6-Pentafluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoic acid
CID 44214444
4-[5-[7,7,7-Trifluoro-1-[(4-fluorophenyl)sulfonylamino]heptyl]thiophen-2-yl]butanoic acid
CID 44214446
4-[5-[5,5,6,6,7,7,7-Heptafluoro-1-[(4-fluorophenyl)sulfonylamino]heptyl]thiophen-2-yl]butanoic acid
CID 44214447
4-[5-[5,6,6,6-Tetrafluoro-1-[(4-fluorophenyl)sulfonylamino]-5-(trifluoromethyl)hexyl]thiophen-2-yl]butanoic acid
CID 44214448
4-[5-[4,4,5,5,6,6,6-Heptafluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoic acid
CID 44214449
3-[(5-Bromothiophen-2-yl)sulfonylamino]-3-phenylpropanoic acid
CID 16024481

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid (CID 5296326) is 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid is O=C(O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid?
The InChIKey is FBGKILFFMQHQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c14-10-5-3-9(4-6-10)8-11(13(16)17)15-21(18,19)12-2-1-7-20-12/h1-7,11,15H,8H2,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid?
3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid has a molecular weight of 329.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 5296326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).