General Information of the Compound
Compound ID
CP0376266
Compound Name
N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide
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Structure
Formula
C15H18N2O2S
Molecular Weight
290.388
Canonical SMILES
CNCCc1cccc(NS(=O)(=O)c2ccccc2)c1
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InChI
InChI=1S/C15H18N2O2S/c1-16-11-10-13-6-5-7-14(12-13)17-20(18,19)15-8-3-2-4-9-15/h2-9,12,16-17H,10-11H2,1H3
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InChIKey
HDPMFWVSPWUYPZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2493
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 11849203
SID: 17161988
ChEMBL ID
CHEMBL212227
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 38 nM
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