6325-93-5 | 4-Nitrobenzenesulfonamide

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$10.00	$7.00
5g	97%	in stock	$12.00	$9.00
10g	97%	in stock	$15.00	$11.00
25g	97%	in stock	$36.00	$25.00
100g	96%	in stock	$122.00	$86.00
500g	97%	in stock	$224.00	$157.00

Description

• Catalog Number: AB47758
• Chemical Name: 4-Nitrobenzenesulfonamide
• CAS Number: 6325-93-5
• Molecular Formula: C6H6N2O4S
• Molecular Weight: 202.1878
• MDL Number: MFCD00007937
• SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N
• NSC Number: 31148

Computed Properties

• Complexity: 281
• 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

• Determination of structural and vibrational spectroscopic properties of 2-, 3-, 4-nitrobenzenesulfonamide using FT-IR and FT-Raman experimental techniques and DFT quantum chemical calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101

• N-Benzoyl-4-nitro-benzene-sulfonamide monohydrate.

  Acta crystallographica. Section E, Structure reports online 20120101

• 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