N-(2-methylpropyl)-4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-methylpropyl)-4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonamide
N-(2-methylpropyl)-4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D122-0104 |
| Compound Name: | N-(2-methylpropyl)-4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C18 H25 N5 O4 S2 |
| Smiles: | CC(C)CNS(c1ccc(cc1)S(N1CCN(CC1)c1ncccn1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.568 |
| logD: | 2.5679 |
| logSw: | -2.9186 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.602 |
| InChI Key: | MMLCYXGDXZWLAV-UHFFFAOYSA-N |