4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
Formula:C18H14N4O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide |
| MolecularFormula | C18H14N4O2Cl2S |
| Smiles | Nc(cc1)ccc1S(Nc1nccc(/C=C/c(ccc(Cl)c2)c2Cl)n1)(=O)=O |
| InChI | InChI=1S/C18H14Cl2N4O2S/c19-13-3-1-12(17(20)11-13)2-6-15-9-10-22-18(23-15)24-27(25,26)16-7-4-14(21)5-8-16/h1-11H,21H2,(H,22,23,24) |
| InChIK | QXZFOHNXEWEZHY-UHFFFAOYSA-N |
| TotalMolweight | 421.307 |
| Molweight | 421.307 |
| MonoisotopicMass | 420.02145 |
| CLogP | 3.5607 |
| CLogS | -5.924 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 296.2 |
| Relative PSA | 0.2608 |
| PolarSurfaceArea | 106.35 |
| Druglikeness | 4.6142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide | 2 - 4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
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