BRL50481   Click here for help

GtoPdb Ligand ID: 5154

Synonyms: BRL 50481 | BRL-50481
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 88.9
Molecular weight 244.05
XLogP 1.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]
Isomeric SMILES Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]
InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
InChI Key IFIUFCJFLGCQPH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N,2-trimethyl-5-nitrobenzene-1-sulfonamide
Synonyms Click here for help
BRL 50481 | BRL-50481
Database Links Click here for help
CAS Registry No. 433695-36-4
ChEMBL Ligand CHEMBL484928
GtoPdb PubChem SID 178101846
PubChem CID 2921148
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Wikipedia BRL-50481

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Tocris
BRL 50481
Cat. No. 2237