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Home > Indoles and Oxindole > 651335-70-5
651335-70-5 | 1H-Indole, 1-(1-ethyl-3-piperidinyl)-3-(phenylsulfonyl)-
CAS No: 651335-70-5 Catalog No: AG006QDP MDL No:
Product Description
Catalog Number:
AG006QDP
Chemical Name:
1H-Indole, 1-(1-ethyl-3-piperidinyl)-3-(phenylsulfonyl)-
CAS Number:
651335-70-5
Molecular Formula:
C21H24N2O2S
Molecular Weight:
368.4925
IUPAC Name:
3-(benzenesulfonyl)-1-(1-ethylpiperidin-3-yl)indole
InChI:
InChI=1S/C21H24N2O2S/c1-2-22-14-8-9-17(15-22)23-16-21(19-12-6-7-13-20(19)23)26(24,25)18-10-4-3-5-11-18/h3-7,10-13,16-17H,2,8-9,14-15H2,1H3
InChI Key:
JWXKHYYJTARSOV-UHFFFAOYSA-N
SMILES:
CCN1CCCC(C1)n1cc(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.156g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.495g/mol
Monoisotopic Mass:
368.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 3-(Arylsulfonyl)-1-(azacyclyl)-1H-indoles are 5-HT(6) receptor modulators. | Bioorganic & medicinal chemistry letters 20100301 |
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