N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-fluorobenzenesulfonamide
Formula:C22H18N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-fluorobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-fluorobenzenesulfonamide |
| MolecularFormula | C22H18N3O2FS |
| Smiles | O=S(c(cc1)ccc1F)(N/N=C\c1cn(Cc2ccccc2)c2c1cccc2)=O |
| InChI | InChI=1S/C22H18FN3O2S/c23-19-10-12-20(13-11-19)29(27,28)25-24-14-18-16-26(15-17-6-2-1-3-7-17)22-9-5-4-8-21(18)22/h1-14,16,25H,15H2 |
| InChIK | KTZAGMLIVUCEDH-UHFFFAOYSA-N |
| TotalMolweight | 407.468 |
| Molweight | 407.468 |
| MonoisotopicMass | 407.110375 |
| CLogP | 3.9076 |
| CLogS | -3.208 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.49 |
| Relative PSA | 0.19377 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | 3.0647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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