General Information of the Compound
Compound ID
CP0482962
Compound Name
3-methyl-N-(2-phenylethyl)-1H-indole-2-sulfonamide
    Show/Hide
Structure
Formula
C17H18N2O2S
Molecular Weight
314.41
Canonical SMILES
Cc1c([nH]c2ccccc12)S(=O)(=O)NCCc1ccccc1
    Show/Hide
InChI
InChI=1S/C17H18N2O2S/c1-13-15-9-5-6-10-16(15)19-17(13)22(20,21)18-12-11-14-7-3-2-4-8-14/h2-10,18-19H,11-12H2,1H3
    Show/Hide
InChIKey
BXFRFRGBFJNHPU-UHFFFAOYSA-N
Physicochemical Property
logP
2.99732
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 66547241
SID: 152139734
ChEMBL ID
CHEMBL4466958
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 200 nM
   TI
   LI
   LO
   TS