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Home > Indoles and Oxindole > 88151-91-1
88151-91-1 | 4-((2-PHENYL-1H-INDOL-3-YL)AZO)-N-PYRIMIDIN-2-YLBENZENESULFONAMIDE
CAS No: 88151-91-1 Catalog No: AG004G0G MDL No:
Product Description
Catalog Number:
AG004G0G
Chemical Name:
4-((2-PHENYL-1H-INDOL-3-YL)AZO)-N-PYRIMIDIN-2-YLBENZENESULFONAMIDE
CAS Number:
88151-91-1
Molecular Formula:
C24H18N6O2S
Molecular Weight:
454.5037
IUPAC Name:
4-[(2-phenyl-1H-indol-3-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C24H18N6O2S/c31-33(32,30-24-25-15-6-16-26-24)19-13-11-18(12-14-19)28-29-23-20-9-4-5-10-21(20)27-22(23)17-7-2-1-3-8-17/h1-16,27H,(H,25,26,30)
InChI Key:
WMRVEYZSCYAQIM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)N=Nc1c([nH]c2c1cccc2)c1ccccc1)Nc1ncccn1
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.121g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.508g/mol
Monoisotopic Mass:
454.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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