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Home > Indoles and Oxindole > 173908-24-2
173908-24-2 | 1H-Indole, 1-[(2-nitrophenyl)sulfonyl]-
CAS No: 173908-24-2 Catalog No: AG001ZAH MDL No:
Product Description
Catalog Number:
AG001ZAH
Chemical Name:
1H-Indole, 1-[(2-nitrophenyl)sulfonyl]-
CAS Number:
173908-24-2
Molecular Formula:
C14H10N2O4S
Molecular Weight:
302.3052
IUPAC Name:
1-(2-nitrophenyl)sulfonylindole
InChI:
InChI=1S/C14H10N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-10H
InChI Key:
HUQBHLJAJLUOMR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)n1ccc2c1cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.304g/mol
Monoisotopic Mass:
302.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Docking and 3-D QSAR studies on indolyl aryl sulfones. Binding mode exploration at the HIV-1 reverse transcriptase non-nucleoside binding site and design of highly active N-(2-hydroxyethyl)carboxamide and N-(2-hydroxyethyl)carbohydrazide derivatives. | Journal of medicinal chemistry 20050113 |
| 2-Sulfonyl-4-chloroanilino moiety: a potent pharmacophore for the anti-human immunodeficiency virus type 1 activity of pyrrolyl aryl sulfones. | Journal of medicinal chemistry 19960119 |
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