4-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
Formula:C19H15N4O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide is a drug-like molecule.
| MolName | 4-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide |
| MolecularFormula | C19H15N4O3FS |
| Smiles | O=C(/C=C\Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)c(cc1)ccc1F |
| InChI | InChI=1S/C19H15FN4O3S/c20-15-4-2-14(3-5-15)18(25)10-13-21-16-6-8-17(9-7-16)28(26,27)24-19-22-11-1-12-23-19/h1-13,21H,(H,22,23,24) |
| InChIK | PFFUMLZOBAAUKO-UHFFFAOYSA-N |
| TotalMolweight | 398.417 |
| Molweight | 398.417 |
| MonoisotopicMass | 398.084889 |
| CLogP | 1.6807 |
| CLogS | -4.7 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 292.4 |
| Relative PSA | 0.29576 |
| PolarSurfaceArea | 109.43 |
| Druglikeness | 4.586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide | 2 - 4-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
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