(NE)-4-chloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]benzenesulfonamide
Formula:C17H16N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-chloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-4-chloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]benzenesulfonamide |
| MolecularFormula | C17H16N2O3Cl2S |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c(cc1)ccc1Cl)/N1CCOCC1)=O |
| InChI | InChI=1S/C17H16Cl2N2O3S/c18-14-3-1-13(2-4-14)17(21-9-11-24-12-10-21)20-25(22,23)16-7-5-15(19)6-8-16/h1-8H,9-12H2 |
| InChIK | VZPYFYVTFCSWGR-UHFFFAOYSA-N |
| TotalMolweight | 399.297 |
| Molweight | 399.297 |
| MonoisotopicMass | 398.025867 |
| CLogP | 3.7485 |
| CLogS | -3.89 |
| H Acceptors | 5 |
| TotalSurfaceArea | 277.25 |
| Relative PSA | 0.19347 |
| PolarSurfaceArea | 67.35 |
| Druglikeness | 3.7119 |
| 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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