N'-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
Formula:C24H20N4O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C24H20N4O4S2 |
| Smiles | O=S(c(cc1)ccc1N/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)(Nc1ncccc1)=O |
| InChI | InChI=1S/C24H20N4O4S2/c29-33(30,27-23-13-7-8-18-25-23)22-16-14-20(15-17-22)26-24(19-9-3-1-4-10-19)28-34(31,32)21-11-5-2-6-12-21/h1-18H,(H,25,27)(H,26,28) |
| InChIK | PKZBXCFPJJZZGS-UHFFFAOYSA-N |
| TotalMolweight | 492.579 |
| Molweight | 492.579 |
| MonoisotopicMass | 492.092596 |
| CLogP | 3.6593 |
| CLogS | -5.283 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 354.35 |
| Relative PSA | 0.28943 |
| PolarSurfaceArea | 134.35 |
| Druglikeness | -3.4338 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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