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Home > Sulfanilamide > 81256-20-4
81256-20-4 | Benzenesulfonamide,4-methyl-N-[2-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-
CAS No: 81256-20-4 Catalog No: AG004Z4T MDL No:
Product Description
Catalog Number:
AG004Z4T
Chemical Name:
Benzenesulfonamide,4-methyl-N-[2-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-
CAS Number:
81256-20-4
Molecular Formula:
C20H19NO5S2
Molecular Weight:
417.4986
IUPAC Name:
[2-[(4-methylphenyl)sulfonylamino]phenyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C20H19NO5S2/c1-15-7-11-17(12-8-15)27(22,23)21-19-5-3-4-6-20(19)26-28(24,25)18-13-9-16(2)10-14-18/h3-14,21H,1-2H3
InChI Key:
ZAPUUYNFQUEIBP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1OS(=O)(=O)c1ccc(cc1)C
NSC Number:
140195
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.07g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.494g/mol
Monoisotopic Mass:
417.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| 2-{[(4-Methylphenyl)sulfonyl]amino}phenyl 4-methylbenzenesulfonate. | Acta crystallographica. Section C, Crystal structure communications 20070501 |
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