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Home Sulfos 4-Butylbenzenesulfonamide

4-Butylbenzenesulfonamide

CAS No.:
1135-00-8
Catalog Number:
AG0008SM
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$63
- +
5g
95%
1 week
United States
$94
- +
25g
95%
1 week
United States
$280
- +
Product Description
Catalog Number:
AG0008SM
Chemical Name:
4-Butylbenzenesulfonamide
CAS Number:
1135-00-8
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD00465202
IUPAC Name:
4-butylbenzenesulfonamide
InChI:
InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
InChI Key:
IWEMSJAOIKQBBZ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
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