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Home Sulfos 2-Carboethoxybenzene sulfonamide

2-Carboethoxybenzene sulfonamide

CAS No.:
59777-72-9
Catalog Number:
AG00IALT
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00IALT
Chemical Name:
2-Carboethoxybenzene sulfonamide
CAS Number:
59777-72-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00455715
IUPAC Name:
ethyl 2-sulfamoylbenzoate
InChI:
InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChI Key:
CYFKZTWSLPKROH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1S(=O)(=O)N
EC Number:
611-882-7
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
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
Kinetics of hydrolysis and cyclization of ethyl 2-(aminosulfonyl)benzoate to saccharin. Chemosphere 20021001
Properties