sulfonamide-01   

GtoPdb Ligand ID: 4313

Abbreviated name: SF-01
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 116.95
Molecular weight 441.14
XLogP 5.2
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C
Isomeric SMILES C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C
InChI InChI=1S/C22H23N3O5S/c1-4-12-23-22(27)17-14-24-18-11-10-15(13-16(18)21(17)26)31(28,29)25(3)19-8-6-7-9-20(19)30-5-2/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,27)(H,24,26)
InChI Key IVIJZILSKWHMIO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-[(2-ethoxyphenyl)(methyl)sulfamoyl]-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Database Links
GtoPdb PubChem SID 178101130
PubChem CID 11532283
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