N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C18H13N3O3F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C18H13N3O3F2S2 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C\c(cc1)cc(F)c1F |
| InChI | InChI=1S/C18H13F2N3O3S2/c19-15-8-3-12(10-16(15)20)11-21-22-18(24)13-4-6-14(7-5-13)23-28(25,26)17-2-1-9-27-17/h1-11,23H,(H,22,24) |
| InChIK | VMGJUCHSMQOZGY-UHFFFAOYSA-N |
| TotalMolweight | 421.447 |
| Molweight | 421.447 |
| MonoisotopicMass | 421.036638 |
| CLogP | 3.6914 |
| CLogS | -5.599 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.43 |
| Relative PSA | 0.32634 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 3.7742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off