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7403-00-1 | Benzenesulfonamide, N,N'-(4-ethyl-o-phenylene)bis- (7CI,8CI)
CAS No: 7403-00-1 Catalog No: AG005A1G MDL No:
Product Description
Catalog Number:
AG005A1G
Chemical Name:
Benzenesulfonamide, N,N'-(4-ethyl-o-phenylene)bis- (7CI,8CI)
CAS Number:
7403-00-1
Molecular Formula:
C20H20N2O4S2
Molecular Weight:
416.5138
IUPAC Name:
N-[2-(benzenesulfonamido)-4-ethylphenyl]benzenesulfonamide
InChI:
InChI=1S/C20H20N2O4S2/c1-2-16-13-14-19(21-27(23,24)17-9-5-3-6-10-17)20(15-16)22-28(25,26)18-11-7-4-8-12-18/h3-15,21-22H,2H2,1H3
InChI Key:
XRYAJPURQKLUPC-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
NSC Number:
400366
Properties
Complexity:
685
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:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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