N-[2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-4-nitrobenzene-1-sulfonamide
N-[2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 2548-0862 |
| Compound Name: | N-[2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C16 H16 N2 O5 S |
| Smiles: | CC(C)C1=C\C(C(C)=CC1=O)=N/S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5771 |
| logD: | 3.5771 |
| logSw: | -3.8188 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.011 |
| InChI Key: | SEWDABXXHSDLRO-UHFFFAOYSA-N |