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1565-17-9,MFCD00792524
Catalog No.:AA001OPE

1565-17-9 | 4-Acetylbenzenesulfonamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$7.00   $5.00
- +
250mg
95%
in stock  
$10.00   $7.00
- +
1g
95%
in stock  
$34.00   $24.00
- +
5g
95%
in stock  
$136.00   $95.00
- +
25g
95%
in stock  
$517.00   $362.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001OPE
Chemical Name:
4-Acetylbenzenesulfonamide
CAS Number:
1565-17-9
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD00792524
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)N
Properties
Computed Properties
 
Complexity:
283  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.2  

Downstream Synthesis Route

[1]PrzemyslChemiczny,1952,vol.31,p.417    Chem.Abstr.,1954,p.7581

[2]TetrahedronAsymmetry,1998,vol.9,p.4331-4340

[1]JournaloftheChemicalSociety,1949,p.178,179

[1]JournalofMedicinalChemistry,1990,vol.33,p.2393-2407

[1]TetrahedronLetters,1996,vol.37,p.1145-1148

1788-10-9    1565-17-9   
4-acetyl-N-(4-acetylphenyl)sulfonylbenzenesulfonamide 

[1]CollectionofCzechoslovakChemicalCommunications,1996,vol.61,p.1205-1214

[2]Synthesis,2018,vol.50,p.1867-1874

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

Quotation Request
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Additional Info:
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SDS
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Tags:1565-17-9 Molecular Formula|1565-17-9 MDL|1565-17-9 SMILES|1565-17-9 4-Acetylbenzenesulfonamide
Catalog No.: AA001OPE
1565-17-9,MFCD00792524
1565-17-9 | 4-Acetylbenzenesulfonamide
Pack Size： 100mg
Purity： 95%
in stock
$7.00 $5.00
Pack Size： 250mg
Purity： 95%
in stock
$10.00 $7.00
Pack Size： 1g
Purity： 95%
in stock
$34.00 $24.00
Pack Size： 5g
Purity： 95%
in stock
$136.00 $95.00
Pack Size： 25g
Purity： 95%
in stock
$517.00 $362.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001OPE
Chemical Name: 4-Acetylbenzenesulfonamide
CAS Number: 1565-17-9
Molecular Formula: C8H9NO3S
Molecular Weight: 199.2270
MDL Number: MFCD00792524
SMILES: CC(=O)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity: 283  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.2  
Downstream Synthesis Route
138-38-5    1565-17-9 

[1]PrzemyslChemiczny,1952,vol.31,p.417    Chem.Abstr.,1954,p.7581

[2]TetrahedronAsymmetry,1998,vol.9,p.4331-4340

5335-82-0    1565-17-9 

[1]JournaloftheChemicalSociety,1949,p.178,179

1565-17-9    104-12-1    128924-64-1 

[1]JournalofMedicinalChemistry,1990,vol.33,p.2393-2407

98-61-3    97674-02-7    1565-17-9 

[1]TetrahedronLetters,1996,vol.37,p.1145-1148

1788-10-9    1565-17-9   
4-acetyl-N-(4-acetylphenyl)sulfonylbenzenesulfonamide 

[1]CollectionofCzechoslovakChemicalCommunications,1996,vol.61,p.1205-1214

[2]Synthesis,2018,vol.50,p.1867-1874

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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