4-amino-N-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]benzenesulfonamide
Formula:C16H14N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]benzenesulfonamide |
| MolecularFormula | C16H14N4O2S2 |
| Smiles | Nc(cc1)ccc1S(Nc1nc(/C=C/c2cccs2)ccn1)(=O)=O |
| InChI | InChI=1S/C16H14N4O2S2/c17-12-3-7-15(8-4-12)24(21,22)20-16-18-10-9-13(19-16)5-6-14-2-1-11-23-14/h1-11H,17H2,(H,18,19,20) |
| InChIK | RQASIYUMLVLPRX-UHFFFAOYSA-N |
| TotalMolweight | 358.445 |
| Molweight | 358.445 |
| MonoisotopicMass | 358.055816 |
| CLogP | 2.2153 |
| CLogS | -4.462 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 261.3 |
| Relative PSA | 0.37356 |
| PolarSurfaceArea | 134.59 |
| Druglikeness | 5.1202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-thiophen-2-ylethenyl]pyrimidin-2-yl]benzenesulfonamide | 2 - 4-amino-N-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]benzenesulfonamide
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