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1135-00-8,MFCD00465202
Catalog No.:AA0008PU
1135-00-8 | 4-Butylbenzenesulfonamide
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
1 week  
$43.00   $30.00
- +
5g
95%
1 week  
$154.00   $108.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0008PU
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
Computed 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  

Synonyms
 
4-butylbenzenesulfonamide 
1135-00-8 
Maybridge1_000070 
Cambridge id 5152080 
MixCom1_000136 
Oprea1_731134 
Benzenesulfonamide, 4-butyl- 
CBDivE_004636 
MLS000685454 
SCHEMBL607623 
CTK6D6428 
4-(But-1-yl)benzenesulphonamide 
4-butylbenzene-1-sulfonamide 
DTXSID10366043 
IWEMSJAOIKQBBZ-UHFFFAOYSA-N 
HMS2615H17 
ZINC2472843 
ZX-AT018199 
9048AC 
BDBM50423788 
CCG-44076 
OR2427 
SBB028427 
4-n-Butylbenzenesulfonamide 
AKOS001607970 
FS-4309 
MCULE-1593043744 
VZ29469 
4-N-Butylbenzenesulfonamide, AldrichCPR 
BBV-37984476 
SMR000312418 
FT-0617942 
ST50407245 
A803057 
4-n-butylbenzenesulphonamide 
C-11260 
SR-01000633941-1 
BRD-K91323464-001-08-3 
I14-59758 
6YP 
C10H15NO2S 
ZINC02472843 
CID2054776 
4-Butyl-benzenesulfonamide 
CHEMBL150043 
MFCD00465202 
P-butylbenzenesulfonamide 
AC1M0QFJ 
Literature

Title: Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

Journal: Bioorganic & medicinal chemistry letters 20110101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II.

Journal: Bioorganic & medicinal chemistry letters 20050215

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