Home Sulfonamines 1899-94-1
1899-94-1,MFCD04066695
Catalog No.:AA002E1Z

1899-94-1 | 3-Methylbenzenesulfonamide

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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$128.00   $90.00
- +
5g
98%
in stock  
$411.00   $288.00
- +
10g
98%
in stock  
$710.00   $497.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA002E1Z
Chemical Name:
3-Methylbenzenesulfonamide
CAS Number:
1899-94-1
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD04066695
SMILES:
Cc1cccc(c1)S(=O)(=O)N
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.8  

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

Title: Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties.

Journal: Journal of medicinal chemistry 20020117

Title: (N-[2-(eta[5]cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O)(tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II).

Journal: Acta crystallographica. Section C, Crystal structure communications 20010401

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Tags:1899-94-1 Molecular Formula|1899-94-1 MDL|1899-94-1 SMILES|1899-94-1 3-Methylbenzenesulfonamide