5-(4-methylbenzene-1-sulfonyl)-4-nitro-2,1,3-benzothiadiazole
Chemical Structure Depiction of
5-(4-methylbenzene-1-sulfonyl)-4-nitro-2,1,3-benzothiadiazole
5-(4-methylbenzene-1-sulfonyl)-4-nitro-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | 8017-0183 |
| Compound Name: | 5-(4-methylbenzene-1-sulfonyl)-4-nitro-2,1,3-benzothiadiazole |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C13 H9 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(c1ccc2c(c1[N+]([O-])=O)nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5463 |
| logD: | 3.5463 |
| logSw: | -3.7773 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.472 |
| InChI Key: | OXRDDZNUTMKRKU-UHFFFAOYSA-N |