N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-sulfonamide
Formula:C21H16N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-sulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-sulfonamide |
| MolecularFormula | C21H16N3O2ClS |
| Smiles | O=S(c1cc2ccccc2cc1)(N/N=C\c1cccn1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H16ClN3O2S/c22-18-8-10-19(11-9-18)25-13-3-6-20(25)15-23-24-28(26,27)21-12-7-16-4-1-2-5-17(16)14-21/h1-15,24H |
| InChIK | PIOHUDRMRZBKSE-UHFFFAOYSA-N |
| TotalMolweight | 409.896 |
| Molweight | 409.896 |
| MonoisotopicMass | 409.065174 |
| CLogP | 4.3164 |
| CLogS | -6.595 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.8 |
| Relative PSA | 0.19683 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | 2.9333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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