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21988-05-6,MFCD03094293
Catalog No.:AA007OGA

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$91.00   $64.00
- +
1g
98
in stock  
$151.00   $106.00
- +
5g
98
in stock  
$304.00   $213.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007OGA
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
Properties
Computed Properties
 
Complexity:
397  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-US3987199,1976,A

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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SDS
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573697-72-0

573697-72-0
Tags:21988-05-6 Molecular Formula|21988-05-6 MDL|21988-05-6 SMILES|21988-05-6 4-Nitro-3-(trifluoromethyl)benzenesulphonamide
Catalog No.: AA007OGA
21988-05-6,MFCD03094293
21988-05-6 | 4-Nitro-3-(trifluoromethyl)benzenesulphonamide
Pack Size： 250mg
Purity： 98%
in stock
$91.00 $64.00
Pack Size： 1g
Purity： 98
in stock
$151.00 $106.00
Pack Size： 5g
Purity： 98
in stock
$304.00 $213.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007OGA
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
Properties
Complexity: 397  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
21988-05-6    39234-83-8    7440-44-0    39234-84-9 

[1]CurrentPatentAssignee:MERCK&COINC-US3987199,1976,A

Literature fold

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 letters20110101

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 letters20050215

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

Journal: Bioorganic & medicinal chemistry letters20041115

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