N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-(thiolan-3-ylidene)hydrazinyl]benzenesulfonamide
Formula:C16H15N4O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-(thiolan-3-ylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-(thiolan-3-ylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C16H15N4O4ClS2 |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C1/CSCC1)=O |
| InChI | InChI=1S/C16H15ClN4O4S2/c17-11-1-3-12(4-2-11)20-27(24,25)16-9-14(21(22)23)5-6-15(16)19-18-13-7-8-26-10-13/h1-6,9,19-20H,7-8,10H2 |
| InChIK | LJZFGWOFWZSCIJ-UHFFFAOYSA-N |
| TotalMolweight | 426.904 |
| Molweight | 426.904 |
| MonoisotopicMass | 426.022323 |
| CLogP | 3.476 |
| CLogS | -5.067 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 291.85 |
| Relative PSA | 0.38006 |
| PolarSurfaceArea | 150.06 |
| Druglikeness | -2.5633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-(thiolan-3-ylidene)hydrazinyl]benzenesulfonamide | 2 - N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-(thiolan-3-ylidene)hydrazinyl]benzenesulfonamide
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