4-methyl-N,N-bis[2-(2-{[(4-methylphenyl)sulfonyl]amino}phenoxy)ethyl]benzenesulfonamide 54533-69-6

Details:

【Name】
4-methyl-N,N-bis[2-(2-{[(4-methylphenyl)sulfonyl]amino}phenoxy)ethyl]benzenesulfonamide
【Iupac name】
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)
sulfonylamino]phenoxy]ethyl]amino]ethoxy]phenyl]benzenesulfonamide
【CAS Registry number】
54533-69-6
【Synonyms】
NSC245016
AC1L7UEH
NSC-245016
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)sulfonylamino]phenoxy]ethyl]amino]ethoxy]phenyl]benzenesulfonamide
54533-69-6
【Molecular Formula】
C37H39N3O8S3 (Products with the same molecular formula)
【Molecular Weight】
749.9159
【Inchi】
InChI=1/C37H39N3O8S3/c1-28-12-18-31(19-13-28)49(41,42)38-34-8-4-6-10-36(34)47-26-24-40(51(45,46)33-22-16-30(3)17-23-33)25-27-48-37-11-7-5-9-35(37)39-50(43,44)32-20-14-29(2)15-21-32/h4-23,38-39H,24-27H2,1-3H3
【Canonical SMILES】
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OCCN(CCOC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C
Chemical and Physical Properties
【Density】
1.358g/cm3
【Boiling Point】
886.8°C at 760 mmHg
【Refractive Index】
1.641
【Flash Point】
490.1°C
【Computed Properties】
Molecular Weight:749.91586 [g/mol]
Molecular Formula:C37H39N3O8S3
XLogP3-AA:6.5
H-Bond Donor:2
H-Bond Acceptor:11
Rotatable Bond Count:16
Exact Mass:749.189927
MonoIsotopic Mass:749.189927
Topological Polar Surface Area:173
Heavy Atom Count:51
Formal Charge:0
Complexity:1290
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1