structure of Methyl 4-nitro-2-sulfamoylbenzoate

Methyl 4-nitro-2-sulfamoylbenzoate

CAS No.: 2297-01-0
M. Wt: 260.224
M. Fa: C8H8N2O6S
InChI Key: CRMWXYZOQXJLQI-UHFFFAOYSA-N

Names and Identifiers of Methyl 4-nitro-2-sulfamoylbenzoate

CAS Number

2297-01-0

MDL Number

MFCD00443173

IUPAC Name

methyl 4-nitro-2-sulfamoylbenzoate

InChI

InChI=1S/C8H8N2O6S/c1-16-8(11)6-3-2-5(10(12)13)4-7(6)17(9,14)15/h2-4H,1H3,(H2,9,14,15)

InChIKey

CRMWXYZOQXJLQI-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N

UNSPSC Code

12352100

Physical and chemical properties of Methyl 4-nitro-2-sulfamoylbenzoate

Acidity coefficient

9.04±0.60(Predicted)

Boiling Point

503.3±60.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

260.010315

Flash Point

258.2±32.9 °C

Index of Refraction

1.585

LogP

0.40

Melting Point

191 °C

Molecular Formula

C8H8N2O6S

Molecular Weight

260.224

Storage condition

2-8°C

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of Methyl 4-nitro-2-sulfamoylbenzoate

Pictograms

Signal Word

 Warning

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

Applications of Methyl 4-nitro-2-sulfamoylbenzoate

Methyl 4-nitro-2-sulfamoylbenzoate has potential applications in:

  • Pharmaceuticals: As a building block for synthesizing more complex sulfonamide drugs.
  • Agricultural Chemistry: It may serve as an intermediate in developing herbicides or pesticides due to its structural properties.
  • Biochemical Research: Used in studies related to enzyme inhibition and drug design.

Interaction Studies of Methyl 4-nitro-2-sulfamoylbenzoate

Studies on methyl 4-nitro-2-sulfamoylbenzoate's interactions have focused on its binding affinity to various biological targets, including enzymes and receptors. Its structural features suggest potential interactions with carbonic anhydrases and other sulfonamide-sensitive enzymes. In vitro studies have shown promising results regarding its inhibitory effects on these targets, warranting further investigation into its pharmacological profile.

Biological Activity of Methyl 4-nitro-2-sulfamoylbenzoate

Methyl 4-nitro-2-sulfamoylbenzoate exhibits potential biological activity, particularly in the field of medicinal chemistry. Sulfonamide compounds are known for their antibacterial properties, and derivatives like this one may also exhibit anti-inflammatory and antitumor activities. Research indicates that compounds with similar structures can inhibit certain enzymes involved in bacterial growth and proliferation.