121-52-8 | 3-Nitrobenzenesulfonamide

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$14.00	$10.00
5g	98%	in stock	$18.00	$12.00
15g	98%	in stock	$24.00	$17.00
100g	98%	in stock	$153.00	$107.00
500g	98%	in stock	$520.00	$364.00

Description

• Catalog Number: AD34537
• Chemical Name: 3-Nitrobenzenesulfonamide
• CAS Number: 121-52-8
• Molecular Formula: C6H6N2O4S
• Molecular Weight: 202.1878
• MDL Number: MFCD00007935
• SMILES: [O-][N+](=O)c1cccc(c1)S(=O)(=O)N
• NSC Number: 407487

Computed Properties

• Complexity: 289
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.6

Upstream Synthesis Route

3-Nitrobenzenesulfonamide is a versatile compound widely utilized in chemical synthesis for its unique properties and diverse applications. In organic chemistry, it serves as a key building block for the synthesis of various pharmaceuticals, agrochemicals, and dyes. Due to its nitro and sulfonamide functional groups, 3-Nitrobenzenesulfonamide can undergo different chemical reactions, making it valuable for the production of complex molecular structures. Its ability to participate in both nucleophilic and electrophilic reactions makes it an important intermediate in the synthesis of biologically active compounds. Additionally, the presence of the nitro group allows for further derivatization, enabling the creation of tailored molecules with specific properties and functions. In summary, 3-Nitrobenzenesulfonamide plays a crucial role in modern chemical synthesis, offering a wide range of possibilities for the development of novel compounds with various applications.

Literature

• N-(2-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide.

  Acta crystallographica. Section E, Structure reports online 20120201

• N-(2-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide.

  Acta crystallographica. Section E, Structure reports online 20120201

• N-(3-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide.

  Acta crystallographica. Section E, Structure reports online 20120101

• N-Benzoyl-3-nitro-benzene-sulfonamide.

  Acta crystallographica. Section E, Structure reports online 20111201

• Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

  Bioorganic & medicinal chemistry letters 20110101

• Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters.

  Bioorganic & medicinal chemistry letters 20050215

• Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach.

  Bioorganic & medicinal chemistry letters 20041115

• Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.

  Bioorganic & medicinal chemistry letters 20041115

• Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique.

  Acta crystallographica. Section B, Structural science 20021001