General Information of the Compound
Compound ID
CP0528128
Compound Name
4-(4-benzenesulfonamidophenyl)piperazine
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Synonyms
4-(4-benzenesulfonamidophenyl)piperazine
CHEMBL426332
SCHEMBL18553766
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Structure
Formula
C16H19N3O2S
Molecular Weight
317.414
Canonical SMILES
O=S(=O)(Nc1ccc(cc1)N1CCNCC1)c1ccccc1
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InChI
InChI=1S/C16H19N3O2S/c20-22(21,16-4-2-1-3-5-16)18-14-6-8-15(9-7-14)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2
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InChIKey
LHOHHFFMBNKDDU-UHFFFAOYSA-N
Physicochemical Property
logP
1.897
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 11849789
ChEMBL ID
CHEMBL426332
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 = 85 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(4-benzenesulfonamidophenyl)piperazine )
Drug Name 4-(4-benzenesulfonamidophenyl)piperazine
Target(s)
5-HT 6 receptor (HTR6)
Inhibitor