N-[(Z)-pyridin-2-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C17H18N4O3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C17H18N4O3S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C17H18N4O3S/c22-17(20-19-13-15-7-1-2-9-18-15)14-6-5-8-16(12-14)25(23,24)21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2,(H,20,22) |
| InChIK | KSEIGNFHOGCZRA-UHFFFAOYSA-N |
| TotalMolweight | 358.421 |
| Molweight | 358.421 |
| MonoisotopicMass | 358.109961 |
| CLogP | 2.1195 |
| CLogS | -2.775 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.17 |
| Relative PSA | 0.29722 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 0.88484 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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