N-[(Z)-(2-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H20N4O5S |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C19H20N4O5S/c24-19(21-20-14-16-7-2-3-10-18(16)23(25)26)15-8-6-9-17(13-15)29(27,28)22-11-4-1-5-12-22/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,21,24) |
| InChIK | RXOMPWHZZDHAFY-UHFFFAOYSA-N |
| TotalMolweight | 416.457 |
| Molweight | 416.457 |
| MonoisotopicMass | 416.115441 |
| CLogP | 2.4868 |
| CLogS | -4.276 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 304.84 |
| Relative PSA | 0.32332 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -7.9331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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