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Home Sulfos 4-Ethynylbenzenesulfonamide

4-Ethynylbenzenesulfonamide

CAS No.:
1788-08-5
Catalog Number:
AG0026C3
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(HPLC)
In Stock USA
United States
$185
- +
250mg
98%(HPLC)
In Stock USA
United States
$339
- +
1g
98%(HPLC)
In Stock USA
United States
$905
- +
Product Description
Catalog Number:
AG0026C3
Chemical Name:
4-Ethynylbenzenesulfonamide
CAS Number:
1788-08-5
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD11040256
IUPAC Name:
4-ethynylbenzenesulfonamide
InChI:
InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
InChI Key:
OQPUCENNUFNCQO-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis of glycoconjugate carbonic anhydrase inhibitors by ruthenium-catalysed azide-alkyne 1,3-dipolar cycloaddition. Bioorganic & medicinal chemistry letters 20111015
Inhibition of carbonic anhydrases with glycosyltriazole benzene sulfonamides. Journal of medicinal chemistry 20080327
Properties