3119-02-6 | 4-Cyanobenzene-1-sulfonamide

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$25.00	$17.00
1g	97%	in stock	$30.00	$21.00
5g	97%	in stock	$68.00	$48.00
10g	97%	in stock	$110.00	$77.00

Description

• Catalog Number: AF29646
• Chemical Name: 4-Cyanobenzene-1-sulfonamide
• CAS Number: 3119-02-6
• Molecular Formula: C7H6N2O2S
• Molecular Weight: 182.19974000000002
• MDL Number: MFCD00178767
• SMILES: N#Cc1ccc(cc1)S(=O)(=O)N
• NSC Number: 77086

Computed Properties

• Complexity: 287
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.2

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