N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C18H14N3O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C18H14N3O3FS2 |
| Smiles | O=C(c(cccc1)c1NS(c1cccs1)(=O)=O)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C18H14FN3O3S2/c19-14-6-3-5-13(11-14)12-20-21-18(23)15-7-1-2-8-16(15)22-27(24,25)17-9-4-10-26-17/h1-12,22H,(H,21,23) |
| InChIK | HGZTXIITKFKECL-UHFFFAOYSA-N |
| TotalMolweight | 403.457 |
| Molweight | 403.457 |
| MonoisotopicMass | 403.04606 |
| CLogP | 3.5906 |
| CLogS | -5.285 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.08 |
| Relative PSA | 0.33351 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 3.4902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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