N-[(E)-[5-amino-2-(3-chlorophenyl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide
Formula:C16H14N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[5-amino-2-(3-chlorophenyl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(E)-[5-amino-2-(3-chlorophenyl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide |
| MolecularFormula | C16H14N3O4ClS |
| Smiles | NC(OC(/C1=N\NS(c2ccccc2)(=O)=O)c2cccc(Cl)c2)=C1O |
| InChI | InChI=1S/C16H14ClN3O4S/c17-11-6-4-5-10(9-11)15-13(14(21)16(18)24-15)19-20-25(22,23)12-7-2-1-3-8-12/h1-9,15,20-21H,18H2/t15-/m1/s1 |
| InChIK | LZQIGXLVMGDFBQ-OAHLLOKOSA-N |
| TotalMolweight | 379.823 |
| Molweight | 379.823 |
| MonoisotopicMass | 379.039354 |
| CLogP | 1.669 |
| CLogS | -3.671 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 258.24 |
| Relative PSA | 0.3482 |
| PolarSurfaceArea | 122.39 |
| Druglikeness | -5.0832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
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1 - N-[(E)-[5-amino-2-(3-chlorophenyl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide | 2 - N-[(E)-[5-amino-2-(3-chlorophenyl)-4-hydroxyfuran-3-ylidene]amino]benzenesulfonamide
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