3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Formula:C18H13N4O6ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C18H13N4O6ClS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cccc(S(Nc(cc3)ccc3Cl)(=O)=O)c2)=O)o1)=O |
| InChI | InChI=1S/C18H13ClN4O6S/c19-13-4-6-14(7-5-13)22-30(27,28)16-3-1-2-12(10-16)18(24)21-20-11-15-8-9-17(29-15)23(25)26/h1-11,22H,(H,21,24) |
| InChIK | FFURODJBOGDQIA-UHFFFAOYSA-N |
| TotalMolweight | 448.842 |
| Molweight | 448.842 |
| MonoisotopicMass | 448.024433 |
| CLogP | 2.7252 |
| CLogS | -6.457 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 315.57 |
| Relative PSA | 0.3821 |
| PolarSurfaceArea | 154.97 |
| Druglikeness | 0.012302 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off