4-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]benzenesulfonamide
Formula:C14H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]benzenesulfonamide |
| MolecularFormula | C14H13N3O3S |
| Smiles | NS(c(cc1)ccc1N/C=C/C(c1cnccc1)=O)(=O)=O |
| InChI | InChI=1S/C14H13N3O3S/c15-21(19,20)13-5-3-12(4-6-13)17-9-7-14(18)11-2-1-8-16-10-11/h1-10,17H,(H2,15,19,20) |
| InChIK | XYYKUBRBZKIEEL-UHFFFAOYSA-N |
| TotalMolweight | 303.341 |
| Molweight | 303.341 |
| MonoisotopicMass | 303.067762 |
| CLogP | 0.2376 |
| CLogS | -2.89 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.59 |
| Relative PSA | 0.35318 |
| PolarSurfaceArea | 110.53 |
| Druglikeness | 4.1474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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