structure of N-Boc-4-nitrobenzenesulfonamide

N-Boc-4-nitrobenzenesulfonamide

CAS No.: 895153-23-8
M. Wt: 302.30366
M. Fa: C11H14N2O6S
InChI Key: KURDKBAAQRGXSB-UHFFFAOYSA-N
Appearance: White solid

Names and Identifiers of N-Boc-4-nitrobenzenesulfonamide

CAS Number

895153-23-8

MDL Number

MFCD25968514

IUPAC Name

tert-butyl N-(4-nitrophenyl)sulfonylcarbamate

InChI

InChI=1S/C11H14N2O6S/c1-11(2,3)19-10(14)12-20(17,18)9-6-4-8(5-7-9)13(15)16/h4-7H,1-3H3,(H,12,14)

InChIKey

KURDKBAAQRGXSB-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of N-Boc-4-nitrobenzenesulfonamide

Acidity coefficient

3.71±0.10(Predicted)

Density

1.365±0.06 g/cm3(Predicted)

Exact Mass

302.057251

Index of Refraction

1.547

LogP

2.30

Melting Point

122-123 °C(Solv: ethanol (64-17-5))

Molecular Formula

C11H14N2O6S

Molecular Weight

302.30366

Storage condition

Sealed in dry,Room Temperature

Safety Information of N-Boc-4-nitrobenzenesulfonamide

Pictograms

Signal Word

 Warning

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

Applications of N-Boc-4-nitrobenzenesulfonamide

N-Boc-4-nitrobenzenesulfonamide finds applications in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of pharmaceutical compounds, particularly those targeting bacterial infections.
  • Organic Synthesis: This compound is widely used in organic chemistry for the preparation of amines and other nitrogen-containing compounds.
  • Material Science: It may also have applications in developing novel materials due to its unique chemical properties.

Interaction Studies of N-Boc-4-nitrobenzenesulfonamide

Studies on N-Boc-4-nitrobenzenesulfonamide's interactions reveal its potential as a lead compound for drug development. Its interactions with biological targets have been explored to assess its efficacy and safety profile. For instance, research indicates that modifications to the sulfonamide group can enhance antibacterial activity while reducing toxicity.

Biological Activity of N-Boc-4-nitrobenzenesulfonamide

N-Boc-4-nitrobenzenesulfonamide exhibits notable biological activities, primarily attributed to its sulfonamide component. Sulfonamides are known for their antibacterial properties, acting as competitive inhibitors of bacterial dihydropteroate synthase, an enzyme crucial for folate synthesis. This mechanism makes them effective against various bacterial infections. Additionally, compounds in this class have shown potential anti-inflammatory and antitumor activities.

Physical sample testing spectrum (NMR) of N-Boc-4-nitrobenzenesulfonamide

Physical sample testing spectrum (NMR) of N-Boc-4-nitrobenzenesulfonamide

Retrosynthesis analysis of N-Boc-4-nitrobenzenesulfonamide

  • Route#1

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