3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C24H16N3O4Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C24H16N3O4Cl3S |
| Smiles | O=C(c1cc(S(Nc2cc(Cl)ccc2)(=O)=O)ccc1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C24H16Cl3N3O4S/c25-17-4-2-5-18(13-17)30-35(32,33)20-6-1-3-16(11-20)24(31)29-28-14-19-8-10-23(34-19)15-7-9-21(26)22(27)12-15/h1-14,30H,(H,29,31) |
| InChIK | NFKHZLNUFXKENE-UHFFFAOYSA-N |
| TotalMolweight | 548.833 |
| Molweight | 548.833 |
| MonoisotopicMass | 546.992708 |
| CLogP | 6.2576 |
| CLogS | -8.722 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 382.5 |
| Relative PSA | 0.23571 |
| PolarSurfaceArea | 109.15 |
| Druglikeness | 3.1095 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide | 2 - 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
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