N-[(Z)-benzylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H19N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H19N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H19N3O3S/c22-18(20-19-14-15-7-2-1-3-8-15)16-9-6-10-17(13-16)25(23,24)21-11-4-5-12-21/h1-3,6-10,13-14H,4-5,11-12H2,(H,20,22) |
| InChIK | BMKRSPWRUPBAAP-UHFFFAOYSA-N |
| TotalMolweight | 357.433 |
| Molweight | 357.433 |
| MonoisotopicMass | 357.114712 |
| CLogP | 3.0664 |
| CLogS | -3.546 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.41 |
| Relative PSA | 0.25481 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 0.77199 |
| Mutagenic | none |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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