4-amino-N-[4-[(E)-2-(3-bromophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
Formula:C18H15N4O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[4-[(E)-2-(3-bromophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[4-[(E)-2-(3-bromophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide |
| MolecularFormula | C18H15N4O2BrS |
| Smiles | Nc(cc1)ccc1S(Nc1nccc(/C=C/c2cccc(Br)c2)n1)(=O)=O |
| InChI | InChI=1S/C18H15BrN4O2S/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 | AKEAXNWOWJEQRK-UHFFFAOYSA-N |
| TotalMolweight | 431.313 |
| Molweight | 431.313 |
| MonoisotopicMass | 430.009907 |
| CLogP | 3.0739 |
| CLogS | -5.286 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.99 |
| Relative PSA | 0.27202 |
| PolarSurfaceArea | 106.35 |
| Druglikeness | 0.28651 |
| 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-bromophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide | 2 - 4-amino-N-[4-[(E)-2-(3-bromophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
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