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41595-29-3 | N,N'-1,4-PHENYLENEBIS(4-METHYLBENZENESULFONAMIDE)
CAS No: 41595-29-3 Catalog No: AG0071NV MDL No:
Product Description
Catalog Number:
AG0071NV
Chemical Name:
N,N'-1,4-PHENYLENEBIS(4-METHYLBENZENESULFONAMIDE)
CAS Number:
41595-29-3
Molecular Formula:
C20H20N2O4S2
Molecular Weight:
416.5138
IUPAC Name:
4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
InChI:
InChI=1S/C20H20N2O4S2/c1-15-3-11-19(12-4-15)27(23,24)21-17-7-9-18(10-8-17)22-28(25,26)20-13-5-16(2)6-14-20/h3-14,21-22H,1-2H3
InChI Key:
ZUNJCQVFMHRTTP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C
NSC Number:
159594
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.51g/mol
Monoisotopic Mass:
416.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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