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Home Sulfos 4-N-Propylbenzenesulfonamide

4-N-Propylbenzenesulfonamide

CAS No.:
1132-18-9
Catalog Number:
AG007STG
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$132
- +
5g
95%
1 week
United States
$378
- +
25g
95%
1 week
United States
$1059
- +
Product Description
Catalog Number:
AG007STG
Chemical Name:
4-N-Propylbenzenesulfonamide
CAS Number:
1132-18-9
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD00457070
IUPAC Name:
4-propylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
InChI Key:
CICCMHNIYTXWRF-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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
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