N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide
Formula:C22H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C22H19N3O2S |
| Smiles | O=S(c1ccccc1)(N/N=C\c1cn(Cc2ccccc2)c2c1cccc2)=O |
| InChI | InChI=1S/C22H19N3O2S/c26-28(27,20-11-5-2-6-12-20)24-23-15-19-17-25(16-18-9-3-1-4-10-18)22-14-8-7-13-21(19)22/h1-15,17,24H,16H2 |
| InChIK | TYFHLNFSLBQEQI-UHFFFAOYSA-N |
| TotalMolweight | 389.478 |
| Molweight | 389.478 |
| MonoisotopicMass | 389.119797 |
| CLogP | 3.8068 |
| CLogS | -2.894 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.14 |
| Relative PSA | 0.19794 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | -1.8967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off