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Home Sulfos 4-Methoxybenzenesulfonamide

4-Methoxybenzenesulfonamide

CAS No.:
1129-26-6
Catalog Number:
AG003LN6
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG003LN6
Chemical Name:
4-Methoxybenzenesulfonamide
CAS Number:
1129-26-6
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00025392
IUPAC Name:
4-methoxybenzenesulfonamide
InChI:
InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChI Key:
MSFQEZBRFPAFEX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N
NSC Number:
73188
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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
Entropic contribution to the linking coefficient in fragment based drug design: a case study. Journal of medicinal chemistry 20100527
Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters. Bioorganic & medicinal chemistry letters 20050215
Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach. Bioorganic & medicinal chemistry letters 20041115
Properties