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Home Sulfos Di-p-toluenesulfonamide

Di-p-toluenesulfonamide

CAS No.:
3695-00-9
Catalog Number:
AG00IMIR
Molecular Formula:
C14H15NO4S2
Molecular Weight:
325.4032
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)
1 week
United States
$95
- +
5g
>98.0%(HPLC)
1 week
United States
$209
- +
Product Description
Catalog Number:
AG00IMIR
Chemical Name:
Di-p-toluenesulfonamide
CAS Number:
3695-00-9
Molecular Formula:
C14H15NO4S2
Molecular Weight:
325.4032
MDL Number:
MFCD00014917
IUPAC Name:
4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
InChI:
InChI=1S/C14H15NO4S2/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChI Key:
LHWZLUXODWUHLZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)C
EC Number:
223-016-1
NSC Number:
1150
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.044g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.397g/mol
Monoisotopic Mass:
325.044g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: a new member of the (RSO2)ON(SO2R)2 family. Acta crystallographica. Section C, Crystal structure communications 20121001
An isosparteine derivative for stereochemical assignment of stereogenic (chiral) methyl groups using tritium NMR: theory and experiment. Journal of the American Chemical Society 20050112
Properties