N'-(benzenesulfonyl)-N-(2-chloropyridin-3-yl)benzenecarboximidamide
Formula:C18H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(2-chloropyridin-3-yl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2-chloropyridin-3-yl)benzenecarboximidamide |
| MolecularFormula | C18H14N3O2ClS |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc1cccnc1Cl)=O |
| InChI | InChI=1S/C18H14ClN3O2S/c19-17-16(12-7-13-20-17)21-18(14-8-3-1-4-9-14)22-25(23,24)15-10-5-2-6-11-15/h1-13H,(H,21,22) |
| InChIK | BMEACOBQSQPOHW-UHFFFAOYSA-N |
| TotalMolweight | 371.847 |
| Molweight | 371.847 |
| MonoisotopicMass | 371.049524 |
| CLogP | 3.7122 |
| CLogS | -3.924 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.97 |
| Relative PSA | 0.23158 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | -5.6015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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