| MolName | N-(4-fluorophenyl)-4-[[(4-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide |
| MolecularFormula | C20H15N4O6FS |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(c(cc1)ccc1S(Nc(cc1)ccc1F)(=O)=O)=O)=O)=O |
| InChI | InChI=1S/C20H15FN4O6S/c21-15-5-7-16(8-6-15)24-32(30,31)18-11-3-14(4-12-18)20(27)23-22-19(26)13-1-9-17(10-2-13)25(28)29/h1-12,24H,(H,22,26)(H,23,27) |
| InChIK | HKAWJXZRWQMORN-UHFFFAOYSA-N |
| TotalMolweight | 458.425 |
| Molweight | 458.425 |
| MonoisotopicMass | 458.069634 |
| CLogP | 1.0959 |
| CLogS | -5.417 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 321.26 |
| Relative PSA | 0.37185 |
| PolarSurfaceArea | 158.57 |
| Druglikeness | -9.1794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-fluorophenyl)-4-[[(4-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide | 2 - N-(4-fluorophenyl)-4-[[(4-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide