N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C18H14N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C18H14N4O5S2 |
| Smiles | [O-][N+](c1c(/C=N\NC(c(cc2)ccc2NS(c2cccs2)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C18H14N4O5S2/c23-18(20-19-12-14-4-1-2-5-16(14)22(24)25)13-7-9-15(10-8-13)21-29(26,27)17-6-3-11-28-17/h1-12,21H,(H,20,23) |
| InChIK | IBILGRLIVPXZRM-UHFFFAOYSA-N |
| TotalMolweight | 430.464 |
| Molweight | 430.464 |
| MonoisotopicMass | 430.040561 |
| CLogP | 2.5682 |
| CLogS | -5.431 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 306.4 |
| Relative PSA | 0.41394 |
| PolarSurfaceArea | 170.07 |
| Druglikeness | -0.72036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off