(NZ)-4-bromo-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]benzenesulfonamide
Formula:C17H16N2O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-4-bromo-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-bromo-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]benzenesulfonamide |
| MolecularFormula | C17H16N2O3BrClS |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(/c(cc1)ccc1Cl)\N1CCOCC1)=O |
| InChI | InChI=1S/C17H16BrClN2O3S/c18-14-3-7-16(8-4-14)25(22,23)20-17(21-9-11-24-12-10-21)13-1-5-15(19)6-2-13/h1-8H,9-12H2 |
| InChIK | HUEGNBGEHHTYKH-UHFFFAOYSA-N |
| TotalMolweight | 443.748 |
| Molweight | 443.748 |
| MonoisotopicMass | 441.975351 |
| CLogP | 3.8677 |
| CLogS | -3.988 |
| H Acceptors | 5 |
| TotalSurfaceArea | 280.46 |
| Relative PSA | 0.19126 |
| PolarSurfaceArea | 67.35 |
| Druglikeness | 1.457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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