N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]benzenesulfonamide
Formula:C21H15N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C21H15N4O5ClS |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C(/C1)\c(cccc2)c2C1=O)=O |
| InChI | InChI=1S/C21H15ClN4O5S/c22-13-5-7-14(8-6-13)25-32(30,31)21-11-15(26(28)29)9-10-18(21)23-24-19-12-20(27)17-4-2-1-3-16(17)19/h1-11,23,25H,12H2 |
| InChIK | UQEZUHGEIMVARL-UHFFFAOYSA-N |
| TotalMolweight | 470.892 |
| Molweight | 470.892 |
| MonoisotopicMass | 470.045168 |
| CLogP | 4.6043 |
| CLogS | -6.538 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 324.35 |
| Relative PSA | 0.32826 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -3.7536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]benzenesulfonamide | 2 - N-(4-chlorophenyl)-5-nitro-2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]benzenesulfonamide
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