4-chloro-N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
Formula:C18H13N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide is a drug-like molecule.
| MolName | 4-chloro-N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide |
| MolecularFormula | C18H13N3O2Cl2S |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c(cc1)ccc1Cl)/Nc1ncccc1)=O |
| InChI | InChI=1S/C18H13Cl2N3O2S/c19-14-6-4-13(5-7-14)18(22-17-3-1-2-12-21-17)23-26(24,25)16-10-8-15(20)9-11-16/h1-12H,(H,21,22,23) |
| InChIK | AJISAZFKIUTHJF-UHFFFAOYSA-N |
| TotalMolweight | 406.292 |
| Molweight | 406.292 |
| MonoisotopicMass | 405.010551 |
| CLogP | 4.5722 |
| CLogS | -5.422 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.39 |
| Relative PSA | 0.21907 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | 3.359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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