N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
Formula:C22H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C22H18N4O2S |
| Smiles | O=S(c1ccccc1)(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C22H18N4O2S/c27-29(28,21-14-8-3-9-15-21)25-23-16-19-17-26(20-12-6-2-7-13-20)24-22(19)18-10-4-1-5-11-18/h1-17,25H |
| InChIK | DLSYZAUVLJMJMW-UHFFFAOYSA-N |
| TotalMolweight | 402.477 |
| Molweight | 402.477 |
| MonoisotopicMass | 402.115046 |
| CLogP | 3.1961 |
| CLogS | -3.429 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 305.3 |
| Relative PSA | 0.22728 |
| PolarSurfaceArea | 84.73 |
| Druglikeness | -2.0614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide | 2 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off