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177159-47-6 | Benzenesulfonamide, 2,4-diamino-N-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-
CAS No: 177159-47-6 Catalog No: AG002545 MDL No:
Product Description
Catalog Number:
AG002545
Chemical Name:
Benzenesulfonamide, 2,4-diamino-N-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-
CAS Number:
177159-47-6
Molecular Formula:
C17H22N4O5S2
Molecular Weight:
426.5104
IUPAC Name:
2-[(2,4-diaminophenyl)sulfonyl-methylamino]-6-morpholin-4-ylbenzenesulfonic acid
InChI:
InChI=1S/C17H22N4O6S2/c1-20(28(22,23)16-6-5-12(18)11-13(16)19)14-3-2-4-15(17(14)29(24,25)26)21-7-9-27-10-8-21/h2-6,11H,7-10,18-19H2,1H3,(H,24,25,26)
InChI Key:
IDECZSOEBPEPPM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)N)S(=O)(=O)N(c1ccc(cc1)S(=O)(=O)N1CCOCC1)C
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.098g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
442.505g/mol
Monoisotopic Mass:
442.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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