21988-05-6 | 4-Nitro-3-(trifluoromethyl)benzenesulphonamide

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$89.00	$62.00
1g	98%	in stock	$201.00	$141.00
5g	98%	in stock	$554.00	$388.00
10g	98%	in stock	$1,007.00	$705.00

Description

• Catalog Number: AD58182
• Chemical Name: 4-Nitro-3-(trifluoromethyl)benzenesulphonamide
• CAS Number: 21988-05-6
• Molecular Formula: C7H5F3N2O4S
• Molecular Weight: 270.1858
• MDL Number: MFCD03094293
• SMILES: [O-][N+](=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N

Computed Properties

• Complexity: 397
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.7

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