4-amino-N-[4-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
Formula:C18H15N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[4-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[4-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide |
| MolecularFormula | C18H15N4O2FS |
| Smiles | Nc(cc1)ccc1S(Nc1nc(/C=C/c2cc(F)ccc2)ccn1)(=O)=O |
| InChI | InChI=1S/C18H15FN4O2S/c19-14-3-1-2-13(12-14)4-7-16-10-11-21-18(22-16)23-26(24,25)17-8-5-15(20)6-9-17/h1-12H,20H2,(H,21,22,23) |
| InChIK | NIXOWKKSSKNBIT-UHFFFAOYSA-N |
| TotalMolweight | 370.407 |
| Molweight | 370.407 |
| MonoisotopicMass | 370.089974 |
| CLogP | 2.4495 |
| CLogS | -4.766 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 271.71 |
| Relative PSA | 0.28431 |
| PolarSurfaceArea | 106.35 |
| Druglikeness | 0.85651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(3-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide | 2 - 4-amino-N-[4-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
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