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Home Sulfonamines 3119-02-6
3119-02-6,MFCD00178767
Catalog No.:AA00BCR6

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$14.00   $10.00
- +
1g
97%
in stock  
$27.00   $19.00
- +
5g
97%
in stock  
$82.00   $57.00
- +
10g
97%
in stock  
$143.00   $100.00
- +
25g
97%
in stock  
$302.00   $212.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00BCR6
Chemical Name:
4-Cyanobenzene-1-sulfonamide
CAS Number:
3119-02-6
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD00178767
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)N
NSC Number:
77086
Properties
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

Title: Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

Journal: Bioorganic & medicinal chemistry letters 20110101

Title: Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters.

Journal: Bioorganic & medicinal chemistry letters 20050215

Title: Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach.

Journal: Bioorganic & medicinal chemistry letters 20041115

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Tags:3119-02-6 Molecular Formula|3119-02-6 MDL|3119-02-6 SMILES|3119-02-6 4-Cyanobenzene-1-sulfonamide