RN1747   Click here for help

GtoPdb Ligand ID: 4295

Synonyms: RN 1747 | RN-1747
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 92.14
Molecular weight 395.07
XLogP 2.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccccc1
Isomeric SMILES Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccccc1
InChI InChI=1S/C17H18ClN3O4S/c18-15-6-7-17(16(12-15)21(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChI Key ZNLVYSJQUMALEO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-benzyl-4-[(4-chloro-2-nitrobenzene)sulfonyl]piperazine
Synonyms Click here for help
RN 1747 | RN-1747
Database Links Click here for help
CAS Registry No. 1024448-59-6 (source: Scifinder)
GtoPdb PubChem SID 178101112
PubChem CID 5068295
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UniChem Compound Search for chemical match using the InChIKey ZNLVYSJQUMALEO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZNLVYSJQUMALEO-UHFFFAOYSA-N

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Tocris
RN 1747 (links to external site)
Cat. No. 3745