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23680-12-8 | Benzenesulfonamide, N,N'-(4,5-diamino-1,2-phenylene)bis[4-methyl-
CAS No: 23680-12-8 Catalog No: AG002O5I MDL No:MFCD28976045
Product Description
Catalog Number:
AG002O5I
Chemical Name:
Benzenesulfonamide, N,N'-(4,5-diamino-1,2-phenylene)bis[4-methyl-
CAS Number:
23680-12-8
Molecular Formula:
C20H22N4O4S2
Molecular Weight:
446.5431
MDL Number:
MFCD28976045
IUPAC Name:
N-[4,5-diamino-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C20H22N4O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-17(21)18(22)12-20(19)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,21-22H2,1-2H3
InChI Key:
PDJQKHQYUNZLIY-UHFFFAOYSA-N
SMILES:
Nc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1N)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.108g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
446.54g/mol
Monoisotopic Mass:
446.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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