5-pyridin-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-sulfonamide
Formula:C14H11N3O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-pyridin-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-sulfonamide is a drug-like molecule.
| MolName | 5-pyridin-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-sulfonamide |
| MolecularFormula | C14H11N3O2S3 |
| Smiles | O=S(c1ccc(-c2ncccc2)s1)(N/N=C\c1cccs1)=O |
| InChI | InChI=1S/C14H11N3O2S3/c18-22(19,17-16-10-11-4-3-9-20-11)14-7-6-13(21-14)12-5-1-2-8-15-12/h1-10,17H |
| InChIK | NQLLICVDQBVFSB-UHFFFAOYSA-N |
| TotalMolweight | 349.458 |
| Molweight | 349.458 |
| MonoisotopicMass | 349.001337 |
| CLogP | 3.1212 |
| CLogS | -2.847 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.22 |
| Relative PSA | 0.41592 |
| PolarSurfaceArea | 136.28 |
| Druglikeness | 3.8974 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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