General Information of the Compound
Compound ID
CP0420196
Compound Name
4-butoxy-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
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Structure
Formula
C20H24N2O3S
Molecular Weight
372.49
Canonical SMILES
CCCCOc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
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InChI
InChI=1S/C20H24N2O3S/c1-2-3-14-25-17-8-10-18(11-9-17)26(23,24)22-13-12-16-15-21-20-7-5-4-6-19(16)20/h4-11,15,21-22H,2-3,12-14H2,1H3
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InChIKey
SFIDYRMKQHYGNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.8678
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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).

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PubChem ID
CID: 58615686
ChEMBL ID
CHEMBL2440392
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 9950 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3180 nM
   TI
   LI
   LO
   TS