Home Sulfos 4-Cyanobenzene-1-sulfonamide

4-Cyanobenzene-1-sulfonamide

CAS No.:
3119-02-6
Catalog Number:
AG00BCTY
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$125
- +
25g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00BCTY
Chemical Name:
4-Cyanobenzene-1-sulfonamide
CAS Number:
3119-02-6
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD00178767
IUPAC Name:
4-cyanobenzenesulfonamide
InChI:
InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChI Key:
UZECCNDOASGYNH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)N
EC Number:
221-492-5
NSC Number:
77086
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
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
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