| SpectraBase Spectrum ID |
95ulTDabMuu |
| Name |
4'-{[5-(alpha,alpha,alpha-trifluoro-o-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)18-8-4-3-7-17(18)20-28-29-22(36-20)30-37(34,35)14-11-9-13(10-12-14)27-19(31)15-5-1-2-6-16(15)21(32)33/h1-12H,(H,27,31)(H,29,30)(H,32,33) |
| InChIKey |
UJZMLGCDHGCYEG-UHFFFAOYSA-N |
| Molecular Weight |
548.511 g/mol |
| SMILES |
N(C1=CC=C(S(=O)(=O)NC=2SC(C=3C(=CC=CC3)C(F)(F)F)=NN2)C=C1)C(C=1C(C(O)=O)=CC=CC1)=O |
![4'-{[5-(alpha,alpha,alpha-trifluoro-o-tolyl)-1,3,4-thiadiazol-2-yl]sulfamoyl}phthalanilic acid](/api/spectrum/95ulTDabMuu/structure.png?h=300&w=458 "4'-{[5-(alpha,alpha,alpha-trifluoro-o-tolyl)-1,3,4-thiadiazol-2-yl]sulfamoyl}phthalanilic acid")
