Home > Compound List > Compound details
209481-24-3 molecular structure
click picture or here to close

5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide hydrochloride

ChemBase ID: 154663
Molecular Formular: C20H23Cl2N3O3S2
Molecular Mass: 488.45092
Monoisotopic Mass: 487.05578897
SMILES and InChIs

SMILES:
Cc1c2cc(ccc2sc1S(=O)(=O)Nc1ccc(c(c1)N1CCNCC1)OC)Cl.Cl
Canonical SMILES:
COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl.Cl
InChI:
InChI=1S/C20H22ClN3O3S2.ClH/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24;/h3-6,11-12,22-23H,7-10H2,1-2H3;1H
InChIKey:
RMXZRJYGJMSDQK-UHFFFAOYSA-N

Cite this record

CBID:154663 http://www.chembase.cn/molecule-154663.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide hydrochloride
IUPAC Traditional name
5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide hydrochloride
Synonyms
5-Chloro-N-(4-methoxy-3-piperazin-1-yl-phenyl)-3-methyl-2-benzo-thiophenesulfonamide hydrochloride
SB-271046A
CAS Number
209481-24-3
MDL Number
MFCD10565914
PubChem SID
162248801
PubChem CID
6918455

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
S5326 external link Add to cart Please log in.
Data Source Data ID
PubChem 6918455 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.4322987  H Acceptors
H Donor LogD (pH = 5.5) 2.0125964 
LogD (pH = 7.4) 2.9310358  Log P 2.9765599 
Molar Refractivity 116.8834 cm3 Polarizability 46.847363 Å3
Polar Surface Area 70.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >20 mg/mL expand Show data source
Apperance
powder expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
nwg expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C20H22ClN3O3S2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S5326 external link
Biochem/physiol Actions
The first potent and selective 5-HT6 antagonist. Training in cognitive tasks, as well as administration SB-271046, induces an increase in pERK1/2 and pCREB1 levels, while CREB2 levels are significantly reduced; cognition-enhancing properties of SB-271046 are attributed to the effect on pERK1/2, not pCREB1/2.1 SB-271046 reverses MK-801-induced, but not scopolamine-induced, learning impairments. However, with coadministration of galanthamine, both types of learning impairments were ameliorated.2

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle