N-pyridin-3-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C16H13N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-pyridin-3-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-pyridin-3-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C16H13N3O2S2 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Nc1cnccc1)=O |
| InChI | InChI=1S/C16H13N3O2S2/c20-23(21,15-9-5-11-22-15)19-16(13-6-2-1-3-7-13)18-14-8-4-10-17-12-14/h1-12H,(H,18,19) |
| InChIK | WBQPNMJGRFWGPB-UHFFFAOYSA-N |
| TotalMolweight | 343.43 |
| Molweight | 343.43 |
| MonoisotopicMass | 343.044917 |
| CLogP | 2.9979 |
| CLogS | -3.342 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.49 |
| Relative PSA | 0.33087 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | 2.2781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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