4-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide
Formula:C15H16N3O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C15H16N3O3BrS2 |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c1ccc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C15H16BrN3O3S2/c16-12-1-4-14(5-2-12)24(20,21)18-17-11-13-3-6-15(23-13)19-7-9-22-10-8-19/h1-6,11,18H,7-10H2 |
| InChIK | IQXIXZKQIYRCEL-UHFFFAOYSA-N |
| TotalMolweight | 430.346 |
| Molweight | 430.346 |
| MonoisotopicMass | 428.981643 |
| CLogP | 2.7275 |
| CLogS | -3.013 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.23 |
| Relative PSA | 0.31164 |
| PolarSurfaceArea | 107.62 |
| Druglikeness | 3.1419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon |
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