structure of 3-(4-Acetylbenzenesulfonamido)propanoic acid

3-(4-Acetylbenzenesulfonamido)propanoic acid

CAS No.: 757192-71-5
M. Wt: 271.290
M. Fa: C11H13NO5S
InChI Key: MSLGKCLYKIHMBJ-UHFFFAOYSA-N

Names and Identifiers of 757192-71-5

CAS Number

757192-71-5

MDL Number

MFCD06340081

IUPAC Name

3-(4-acetylbenzenesulfonamido)propanoic acid

InChI

InChI=1S/C11H13NO5S/c1-8(13)9-2-4-10(5-3-9)18(16,17)12-7-6-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)

InChIKey

MSLGKCLYKIHMBJ-UHFFFAOYSA-N

Canonical SMILES

CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)O)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 757192-71-5

Boiling Point

506.1±60.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

271.051453

Flash Point

259.9±32.9 °C

H Bond Acceptors

5

H Bond Donors

2

Index of Refraction

1.557

LogP

0.68

Molecular Formula

C11H13NO5S

Molecular Weight

271.290

Vapour Pressure

0.0±1.4 mmHg at 25°C

Safety Information of 757192-71-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 757192-71-5

3-(4-acetylbenzenesulfonamido)propanoic acid has potential applications in various fields:

  • Pharmaceuticals: As a potential lead compound for developing new antibacterial or anti-inflammatory agents.
  • Biochemistry: Used as a biochemical probe to study enzyme activities related to sulfonamide metabolism.
  • Material Science: May serve as an intermediate in synthesizing more complex organic materials or polymers.

Interaction Studies of 757192-71-5

Interaction studies involving 3-(4-acetylbenzenesulfonamido)propanoic acid focus on its binding affinity with various biological targets, including enzymes and receptors. Preliminary studies suggest that it may interact with enzymes involved in metabolic pathways related to inflammation and infection. Further research is necessary to elucidate these interactions comprehensively, including kinetic studies and structure-activity relationship analyses.

Biological Activity of 757192-71-5

3-(4-acetylbenzenesulfonamido)propanoic acid exhibits various biological activities, particularly in pharmacology. Compounds with sulfonamide groups are known for their antibacterial properties, as they inhibit bacterial folic acid synthesis. This compound may also exhibit anti-inflammatory effects due to its structural analogies with non-steroidal anti-inflammatory drugs. The specific biological mechanisms and efficacy of this compound require further investigation through experimental studies.