2-chloro-N-(4-piperidin-1-ylphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C22H22N3O2ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-(4-piperidin-1-ylphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is not a drug-like molecule.
| MolName | 2-chloro-N-(4-piperidin-1-ylphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C22H22N3O2ClS2 |
| Smiles | O=S(c1cccs1)(/N=C(\c(cccc1)c1Cl)/Nc(cc1)ccc1N1CCCCC1)=O |
| InChI | InChI=1S/C22H22ClN3O2S2/c23-20-8-3-2-7-19(20)22(25-30(27,28)21-9-6-16-29-21)24-17-10-12-18(13-11-17)26-14-4-1-5-15-26/h2-3,6-13,16H,1,4-5,14-15H2,(H,24,25) |
| InChIK | RNRUIGZUSBDQKA-UHFFFAOYSA-N |
| TotalMolweight | 460.021 |
| Molweight | 460.021 |
| MonoisotopicMass | 459.084194 |
| CLogP | 5.4378 |
| CLogS | -5.865 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.75 |
| Relative PSA | 0.22678 |
| PolarSurfaceArea | 98.39 |
| Druglikeness | 0.10313 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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