3-(3-chloro-4-fluoroanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluoroanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-(3-chloro-4-fluoroanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D531-0306 |
| Compound Name: | 3-(3-chloro-4-fluoroanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 352.77 |
| Molecular Formula: | C15 H10 Cl F N2 O3 S |
| Smiles: | c1ccc2c(c1)C(=C(C(N)=O)S2(=O)=O)Nc1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.126 |
| logD: | -1.2066 |
| logSw: | -3.4262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.676 |
| InChI Key: | KCXOIIWUMPJHRW-UHFFFAOYSA-N |