N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide
Formula:C24H23N3O2F2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide |
| MolecularFormula | C24H23N3O2F2S |
| Smiles | O=S(c(ccc(F)c1)c1F)(/N=C(\c1ccccc1)/Nc(cc1)ccc1N1CCCCC1)=O |
| InChI | InChI=1S/C24H23F2N3O2S/c25-19-9-14-23(22(26)17-19)32(30,31)28-24(18-7-3-1-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,28) |
| InChIK | QNDOSYNFLKEZAY-UHFFFAOYSA-N |
| TotalMolweight | 455.528 |
| Molweight | 455.528 |
| MonoisotopicMass | 455.147903 |
| CLogP | 5.0443 |
| CLogS | -5.84 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.09 |
| Relative PSA | 0.16493 |
| PolarSurfaceArea | 70.15 |
| Druglikeness | -1.8281 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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