121-52-8 | 3-Nitrobenzenesulfonamide

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	95+%	in stock	$18.00	$12.00
25g	98%	in stock	$28.00	$19.00
500g	98%	in stock	$542.00	$380.00

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

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