Home Sulfos N-tert-Butyl-1-(2-cyanophenyl)methanesulfonamide

N-tert-Butyl-1-(2-cyanophenyl)methanesulfonamide

CAS No.:
1036550-54-5
Catalog Number:
AG00HA58
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$363
- +
5g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00HA58
Chemical Name:
N-tert-Butyl-1-(2-cyanophenyl)methanesulfonamide
CAS Number:
1036550-54-5
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
MDL Number:
MFCD11115390
IUPAC Name:
N-tert-butyl-1-(2-cyanophenyl)methanesulfonamide
InChI:
InChI=1S/C12H16N2O2S/c1-12(2,3)14-17(15,16)9-11-7-5-4-6-10(11)8-13/h4-7,14H,9H2,1-3H3
InChI Key:
LQIVRHGFYMUXCG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CS(=O)(=O)NC(C)(C)C
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties