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89010-59-3 | Benzenesulfonamide, 2-[(1-benzoyl-2-oxopropyl)azo]-N-4-pyridinyl-
CAS No: 89010-59-3 Catalog No: AG0042V2 MDL No:
Product Description
Catalog Number:
AG0042V2
Chemical Name:
Benzenesulfonamide, 2-[(1-benzoyl-2-oxopropyl)azo]-N-4-pyridinyl-
CAS Number:
89010-59-3
Molecular Formula:
C21H18N4O4S
Molecular Weight:
422.4570
IUPAC Name:
2-[(1,3-dioxo-1-phenylbutan-2-yl)diazenyl]-N-pyridin-4-ylbenzenesulfonamide
InChI:
InChI=1S/C21H18N4O4S/c1-15(26)20(21(27)16-7-3-2-4-8-16)24-23-18-9-5-6-10-19(18)30(28,29)25-17-11-13-22-14-12-17/h2-14,20H,1H3,(H,22,25)
InChI Key:
RUEXGUMTIYDRRW-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccccc1S(=O)(=O)Nc1ccncc1
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.105g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.459g/mol
Monoisotopic Mass:
422.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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