(NZ)-N-[[4-(furan-2-carbonyl)piperazin-1-yl]-phenylmethylidene]benzenesulfonamide
Formula:C22H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-(furan-2-carbonyl)piperazin-1-yl]-phenylmethylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[[4-(furan-2-carbonyl)piperazin-1-yl]-phenylmethylidene]benzenesulfonamide |
| MolecularFormula | C22H21N3O4S |
| Smiles | O=C(c1ccco1)N(CC1)CCN1/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H21N3O4S/c26-22(20-12-7-17-29-20)25-15-13-24(14-16-25)21(18-8-3-1-4-9-18)23-30(27,28)19-10-5-2-6-11-19/h1-12,17H,13-16H2 |
| InChIK | KRQWRBVVRLESAS-UHFFFAOYSA-N |
| TotalMolweight | 423.492 |
| Molweight | 423.492 |
| MonoisotopicMass | 423.125277 |
| CLogP | 3.3351 |
| CLogS | -3.054 |
| H Acceptors | 7 |
| TotalSurfaceArea | 313.91 |
| Relative PSA | 0.23682 |
| PolarSurfaceArea | 91.57 |
| Druglikeness | 1.6874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-N-[[4-(furan-2-carbonyl)piperazin-1-yl]-phenylmethylidene]benzenesulfonamide | 2 - (NZ)-N-[[4-(furan-2-carbonyl)piperazin-1-yl]-phenylmethylidene]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off