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Home Sulfos 4-Ethylbenzenesulfonamide

4-Ethylbenzenesulfonamide

CAS No.:
138-38-5
Catalog Number:
AG0017T8
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100g
>97%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG0017T8
Chemical Name:
4-Ethylbenzenesulfonamide
CAS Number:
138-38-5
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD01365828
IUPAC Name:
4-ethylbenzenesulfonamide
InChI:
InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChI Key:
MLTGAVXHWSDGIS-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)S(=O)(=O)N
NSC Number:
9909
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
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
3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors. Bioorganic & medicinal chemistry letters 20100515
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II. Bioorganic & medicinal chemistry letters 20050215
Properties