General Information of the Compound
Compound ID
CP0500574
Compound Name
N-[4-(2-aminoethyl)phenyl]benzenesulfonamide
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Synonyms
159182-12-4
AKOS011587141
BDBM50193473
CHEMBL434365
DA-09746
FT-0710145
MCULE-5428014421
N-(4-(2-aminoethyl)phenyl)benzenesulfonamide
N-(4-[2-Aminoethyl]phenyl)Benzenesulfonamide
N-(4-[2-aminoethyl]phenyl) benzenesulfonamide
N-[4-(2-aminoethyl)phenyl]Benzenesulfonamide
PRODIAPRPOSQSM-UHFFFAOYSA-N
SCHEMBL5830405
ZINC20224442
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Structure
Formula
C14H16N2O2S
Molecular Weight
276.361
Canonical SMILES
NCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C14H16N2O2S/c15-11-10-12-6-8-13(9-7-12)16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11,15H2
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InChIKey
PRODIAPRPOSQSM-UHFFFAOYSA-N
Physicochemical Property
logP
1.9886
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
72.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 15281645
ChEMBL ID
CHEMBL434365
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 38 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(4-(2-aminoethyl)phenyl)benzenesulfonamide )
Drug Name N-(4-(2-aminoethyl)phenyl)benzenesulfonamide
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor