N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C17H13N4O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C17H13N4O4ClS2 |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c1cscc1)=O |
| InChI | InChI=1S/C17H13ClN4O4S2/c18-13-1-3-14(4-2-13)21-28(25,26)15-5-6-16(17(9-15)22(23)24)20-19-10-12-7-8-27-11-12/h1-11,20-21H |
| InChIK | LFMOZJVCOSZXEJ-UHFFFAOYSA-N |
| TotalMolweight | 436.899 |
| Molweight | 436.899 |
| MonoisotopicMass | 436.006673 |
| CLogP | 4.6088 |
| CLogS | -5.578 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 304.07 |
| Relative PSA | 0.37422 |
| PolarSurfaceArea | 153 |
| Druglikeness | -2.7217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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