| SpectraBase Spectrum ID |
Di9hmQN5W |
| Name |
4'-{[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,3,4-thiadiazol-2-yl]sulfamoyl}phthalanilic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
548.043596431 u |
| Formula |
C23H15F3N4O5S2 |
| InChI |
InChI=1S/C23H15F3N4O5S2/c24-23(25,26)14-5-3-4-13(12-14)20-28-29-22(36-20)30-37(34,35)16-10-8-15(9-11-16)27-19(31)17-6-1-2-7-18(17)21(32)33/h1-12H,(H,27,31)(H,29,30)(H,32,33) |
| InChIKey |
BXJHRFLYBVPTLN-UHFFFAOYSA-N |
| Molecular Weight |
548.511 g/mol |
| SMILES |
N(C1=CC=C(S(=O)(=O)NC=2SC(C3=CC=CC(=C3)C(F)(F)F)=NN2)C=C1)C(C=1C(C(O)=O)=CC=CC1)=O |
![4'-{[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,3,4-thiadiazol-2-yl]sulfamoyl}phthalanilic acid](/api/spectrum/Di9hmQN5W/structure.png?h=300&w=458 "4'-{[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,3,4-thiadiazol-2-yl]sulfamoyl}phthalanilic acid")
