N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-nitrobenzene-1-sulfonamide
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 2548-0747 |
| Compound Name: | N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C14 H12 N2 O5 S |
| Smiles: | CC1=CC(C=C(C)C1=O)=NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0642 |
| logD: | 3.0641 |
| logSw: | -3.55 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.645 |
| InChI Key: | BKQOJOMYPNDDPF-UHFFFAOYSA-N |