GG8
~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Created: | 2018-09-17 |
Last modified: | 2018-12-26 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
Formula | C9 H10 F3 N O2 S |
Molecular Weight | 253.241 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | FC(F)(F)CCN[S](=O)(=O)c1ccccc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F |
Canonical SMILES | CACTVS | 3.385 | FC(F)(F)CCN[S](=O)(=O)c1ccccc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2 |
InChIKey | InChI | 1.03 | PCTNYPUVXBXHOS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 19043657 |