4-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide
Formula:C19H16N2O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide |
| MolecularFormula | C19H16N2O3S |
| Smiles | NS(c(cc1)ccc1N/C=C\C(c1cccc2ccccc12)=O)(=O)=O |
| InChI | InChI=1S/C19H16N2O3S/c20-25(23,24)16-10-8-15(9-11-16)21-13-12-19(22)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,21H,(H2,20,23,24) |
| InChIK | KLAQUVAFVVCBIM-UHFFFAOYSA-N |
| TotalMolweight | 352.413 |
| Molweight | 352.413 |
| MonoisotopicMass | 352.088163 |
| CLogP | 2.4329 |
| CLogS | -5.291 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.43 |
| Relative PSA | 0.26245 |
| PolarSurfaceArea | 97.64 |
| Druglikeness | 2.8281 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 4-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide | 2 - 4-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide
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