4-chloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
Formula:C20H16N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H16N2O3Cl2S |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C\c1cc(OCc(cc2)ccc2Cl)ccc1)=O |
| InChI | InChI=1S/C20H16Cl2N2O3S/c21-17-6-4-15(5-7-17)14-27-19-3-1-2-16(12-19)13-23-24-28(25,26)20-10-8-18(22)9-11-20/h1-13,24H,14H2 |
| InChIK | ZBTIRDHXZNLMHQ-UHFFFAOYSA-N |
| TotalMolweight | 435.33 |
| Molweight | 435.33 |
| MonoisotopicMass | 434.025867 |
| CLogP | 4.8372 |
| CLogS | -4.729 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.18 |
| Relative PSA | 0.19716 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | 3.4772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide | 2 - 4-chloro-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
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