97-09-6 | 4-Chloro-3-nitrobenzenesulfonamide

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$16.00	$11.00
5g	97%	in stock	$25.00	$18.00
25g	97%	in stock	$34.00	$24.00
100g	97%	in stock	$79.00	$55.00
500g	97%	in stock	$251.00	$176.00

Description

• Catalog Number: AB65424
• Chemical Name: 4-Chloro-3-nitrobenzenesulfonamide
• CAS Number: 97-09-6
• Molecular Formula: C6H5ClN2O4S
• Molecular Weight: 236.6329
• MDL Number: MFCD00035783
• SMILES: [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N
• NSC Number: 512314

Computed Properties

• Complexity: 320
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.8

Literature

• 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

• Nitrobenzene compounds inhibit expression of VCAM-1.

  Bioorganic & medicinal chemistry letters 20010723