N-[(Z)-(2-chlorophenyl)methylideneamino]-5-pyridin-2-ylthiophene-2-sulfonamide
Formula:C16H12N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-5-pyridin-2-ylthiophene-2-sulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-5-pyridin-2-ylthiophene-2-sulfonamide |
| MolecularFormula | C16H12N3O2ClS2 |
| Smiles | O=S(c1ccc(-c2ncccc2)s1)(N/N=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C16H12ClN3O2S2/c17-13-6-2-1-5-12(13)11-19-20-24(21,22)16-9-8-15(23-16)14-7-3-4-10-18-14/h1-11,20H |
| InChIK | JYBGIZKTIGFCIB-UHFFFAOYSA-N |
| TotalMolweight | 377.875 |
| Molweight | 377.875 |
| MonoisotopicMass | 377.005944 |
| CLogP | 3.8606 |
| CLogS | -3.573 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.7 |
| Relative PSA | 0.3096 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | 3.9336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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