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Molecular properties of sulfonamides S1–S5.
| Property | S1 | S2 | S3 | S4 | S5 |
|---|---|---|---|---|---|
| miLogP | 2.43 | 4.20 | 2.57 | 3.77 | 5.32 |
| TPSA (Å2) | 66.84 | 66.40 | 79.29 | 86.62 | 66.40 |
| Natoms | 20 | 22 | 22 | 22 | 23 |
| MW | 299.39 | 323.39 | 320.41 | 321.40 | 374.29 |
| HBA | 5 | 4 | 5 | 5 | 4 |
| HBD | 1 | 2 | 2 | 3 | 2 |
| nviolations | 0 | 0 | 0 | 0 | 1 |
| NRB | 3 | 4 | 5 | 4 | 4 |
| Molecular volume (Å3) | 268.14 | 278.75 | 286.46 | 281.83 | 300.89 |
