2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C20H17N5O5S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H17N5O5S |
| Smiles | [O-][N+](c1cccc(N(CC(N/N=C\c2ncccc2)=O)S(c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C20H17N5O5S/c26-20(23-22-14-16-7-4-5-12-21-16)15-24(17-8-6-9-18(13-17)25(27)28)31(29,30)19-10-2-1-3-11-19/h1-14H,15H2,(H,23,26) |
| InChIK | OEZTYRRMHDYGJR-UHFFFAOYSA-N |
| TotalMolweight | 439.451 |
| Molweight | 439.451 |
| MonoisotopicMass | 439.09504 |
| CLogP | 1.1823 |
| CLogS | -4.615 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 321.82 |
| Relative PSA | 0.34035 |
| PolarSurfaceArea | 145.93 |
| Druglikeness | -5.9747 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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