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7218-46-4 | N,N'-BIS(PHENYLSULFONYL)BIPHENYL-4,4'-DISULFONAMIDE
CAS No: 7218-46-4 Catalog No: AG005VBC MDL No:
Product Description
Catalog Number:
AG005VBC
Chemical Name:
N,N'-BIS(PHENYLSULFONYL)BIPHENYL-4,4'-DISULFONAMIDE
CAS Number:
7218-46-4
Molecular Formula:
C24H20N2O8S4
Molecular Weight:
592.6842
IUPAC Name:
N-(benzenesulfonyl)-4-[4-(benzenesulfonylsulfamoyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C24H20N2O8S4/c27-35(28,21-7-3-1-4-8-21)25-37(31,32)23-15-11-19(12-16-23)20-13-17-24(18-14-20)38(33,34)26-36(29,30)22-9-5-2-6-10-22/h1-18,25-26H
InChI Key:
IISDMBNJXWPOIZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)c1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
EC Number:
230-614-6
NSC Number:
525224
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.01g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
592.67g/mol
Monoisotopic Mass:
592.01g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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