FELIDCYCZXKKDX-UHFFFAOYSA-N
C20H18N2O5S — CID 19423412
Data last refreshed: (MolForge compound catalog, from PubChem)
About FELIDCYCZXKKDX-UHFFFAOYSA-N
FELIDCYCZXKKDX-UHFFFAOYSA-N (PubChem CID 19423412) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethyl]benzoic acid.
Molecular Properties
| Compound Name | FELIDCYCZXKKDX-UHFFFAOYSA-N |
|---|---|
| PubChem CID | 19423412 |
| Molecular Formula | C20H18N2O5S |
| Molecular Weight | 398.44 g/mol |
| Exact Mass | 398.09 |
| IUPAC Name | 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethyl]benzoic acid |
| SMILES | O=C(O)c1cc(CCc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O |
| InChI | InChI=1S/C20H18N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-3,6-13,23H,4-5H2,(H,21,22)(H,24,25) |
| InChIKey | FELIDCYCZXKKDX-UHFFFAOYSA-N |
| XLogP | 3.07 |
| TPSA | 116.59 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 28 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 398.44 |
| LogP ≤ 5 | 3.07 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
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Sources
- PubChem CID 19423412 — identifiers, structure, computed properties (public domain)
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