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Home > Pyridines > 309963-14-2
309963-14-2 | Benzenesulfonamide, 4-[2-(1,6-dihydro-5-hydroxy-6-oxo-3-pyridinyl)diazenyl]-N-2-pyridinyl-
CAS No: 309963-14-2 Catalog No: AG0031VW MDL No:
Product Description
Catalog Number:
AG0031VW
Chemical Name:
Benzenesulfonamide, 4-[2-(1,6-dihydro-5-hydroxy-6-oxo-3-pyridinyl)diazenyl]-N-2-pyridinyl-
CAS Number:
309963-14-2
Molecular Formula:
C16H13N5O4S
Molecular Weight:
371.3705
IUPAC Name:
4-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C16H13N5O4S/c22-14-9-12(10-18-16(14)23)20-19-11-4-6-13(7-5-11)26(24,25)21-15-3-1-2-8-17-15/h1-10,22H,(H,17,21)(H,18,23)
InChI Key:
FDLLLPKSSLZELX-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(cc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
NSC Number:
134173
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
371.371g/mol
Monoisotopic Mass:
371.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Application of CoMFA and CoMSIA 3D-QSAR and docking studies in optimization of mercaptobenzenesulfonamides as HIV-1 integrase inhibitors. | Journal of medicinal chemistry 20040115 |
| Identification of HIV-1 integrase inhibitors via three-dimensional database searching using ASV and HIV-1 integrases as targets. | Bioorganic & medicinal chemistry 20001001 |
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