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651335-52-3

651335-52-3 | 1H-Indole, 3-(phenylsulfonyl)-1-(3-piperidinyl)-

CAS No: 651335-52-3 Catalog No: AG006QDS MDL No:

Product Description

Catalog Number:
AG006QDS
Chemical Name:
1H-Indole, 3-(phenylsulfonyl)-1-(3-piperidinyl)-
CAS Number:
651335-52-3
Molecular Formula:
C19H20N2O2S
Molecular Weight:
340.4393
IUPAC Name:
3-(benzenesulfonyl)-1-piperidin-3-ylindole
InChI:
InChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)19-14-21(15-7-6-12-20-13-15)18-11-5-4-10-17(18)19/h1-5,8-11,14-15,20H,6-7,12-13H2
InChI Key:
QAYPUMLPFJDPQW-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cn(c2c1cccc2)C1CCCNC1)c1ccccc1

Properties

Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.125g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
340.441g/mol
Monoisotopic Mass:
340.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
3-(Arylsulfonyl)-1-(azacyclyl)-1H-indoles are 5-HT(6) receptor modulators. Bioorganic & medicinal chemistry letters 20100301

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