N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H20N4O5S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)cc1)=O |
| InChI | InChI=1S/C19H20N4O5S/c24-19(21-20-14-15-7-9-17(10-8-15)23(25)26)16-5-4-6-18(13-16)29(27,28)22-11-2-1-3-12-22/h4-10,13-14H,1-3,11-12H2,(H,21,24) |
| InChIK | OXBTXNOGYKFRHD-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 | -10.998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| 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 | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off