4-amino-N-[4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
Formula:C16H13N4O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrimidin-2-yl]benzenesulfonamide |
| MolecularFormula | C16H13N4O2BrS2 |
| Smiles | Nc(cc1)ccc1S(Nc1nccc(/C=C/c(s2)ccc2Br)n1)(=O)=O |
| InChI | InChI=1S/C16H13BrN4O2S2/c17-15-8-5-13(24-15)4-3-12-9-10-19-16(20-12)21-25(22,23)14-6-1-11(18)2-7-14/h1-10H,18H2,(H,19,20,21) |
| InChIK | DCYZLTSBWTZACF-UHFFFAOYSA-N |
| TotalMolweight | 437.341 |
| Molweight | 437.341 |
| MonoisotopicMass | 435.966327 |
| CLogP | 3.1452 |
| CLogS | -5.313 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 279.93 |
| Relative PSA | 0.34869 |
| PolarSurfaceArea | 134.59 |
| Druglikeness | 1.3821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| 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-(5-bromothiophen-2-yl)ethenyl]pyrimidin-2-yl]benzenesulfonamide | 2 - 4-amino-N-[4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
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