N-[2-[[(Z)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]phenyl]benzenesulfonamide
Formula:C21H16N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[[(Z)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]phenyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-[2-[[(Z)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]phenyl]benzenesulfonamide |
| MolecularFormula | C21H16N2O3Cl2S |
| Smiles | O=C(/C=C\Nc(cccc1)c1NS(c1ccccc1)(=O)=O)c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C21H16Cl2N2O3S/c22-17-11-10-15(14-18(17)23)21(26)12-13-24-19-8-4-5-9-20(19)25-29(27,28)16-6-2-1-3-7-16/h1-14,24-25H |
| InChIK | OXDWGZIBHOXAEB-UHFFFAOYSA-N |
| TotalMolweight | 447.341 |
| Molweight | 447.341 |
| MonoisotopicMass | 446.025867 |
| CLogP | 3.9856 |
| CLogS | -6.591 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 319.37 |
| Relative PSA | 0.20209 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | -4.286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[[(Z)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]phenyl]benzenesulfonamide | 2 - N-[2-[[(Z)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]phenyl]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off