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Home > Indoles and Oxindole > 32685-23-7
32685-23-7 | 1H-Indole-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 32685-23-7 Catalog No: AG007J1A MDL No:
Product Description
Catalog Number:
AG007J1A
Chemical Name:
1H-Indole-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
32685-23-7
Molecular Formula:
C16H12N2O2S
Molecular Weight:
296.3437
IUPAC Name:
1-(4-methylphenyl)sulfonylindole-5-carbonitrile
InChI:
InChI=1S/C16H12N2O2S/c1-12-2-5-15(6-3-12)21(19,20)18-9-8-14-10-13(11-17)4-7-16(14)18/h2-10H,1H3
InChI Key:
XCOIQAXZQXWZSE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.344g/mol
Monoisotopic Mass:
296.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Anti HIV-1 agents 5: synthesis and anti-HIV-1 activity of some N-arylsulfonyl-3-acetylindoles in vitro. | Bioorganic & medicinal chemistry letters 20100615 |
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