3-pyrrolidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C16H17N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-pyrrolidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-pyrrolidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C16H17N3O3S2 |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C16H17N3O3S2/c20-16(18-17-11-13-6-9-23-12-13)14-4-3-5-15(10-14)24(21,22)19-7-1-2-8-19/h3-6,9-12H,1-2,7-8H2,(H,18,20) |
| InChIK | QCJCVKROQOPVQY-UHFFFAOYSA-N |
| TotalMolweight | 363.461 |
| Molweight | 363.461 |
| MonoisotopicMass | 363.071132 |
| CLogP | 2.8508 |
| CLogS | -3.446 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.35 |
| Relative PSA | 0.33605 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 1.251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-pyrrolidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide | 2 - 3-pyrrolidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off