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Home > Sulfanilamide > 3695-00-9
3695-00-9 | Benzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]-
CAS No: 3695-00-9 Catalog No: AG00IMIR MDL No:MFCD00014917
Product Description
Catalog Number:
AG00IMIR
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]-
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 |
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