1-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]piperidine-4-carboxamide
Formula:C21H20N3O3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]piperidine-4-carboxamide |
| MolecularFormula | C21H20N3O3ClS |
| Smiles | NC(C(CC1)CCN1c1c(cc(cc2)Cl)c2ncc1S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C21H20ClN3O3S/c22-15-6-7-18-17(12-15)20(25-10-8-14(9-11-25)21(23)26)19(13-24-18)29(27,28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H2,23,26) |
| InChIK | KOIHILUUMUOCCD-UHFFFAOYSA-N |
| TotalMolweight | 429.927 |
| Molweight | 429.927 |
| MonoisotopicMass | 429.091389 |
| CLogP | 2.715 |
| CLogS | -5.297 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.99 |
| Relative PSA | 0.23725 |
| PolarSurfaceArea | 101.74 |
| Druglikeness | -2.3141 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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