(NZ)-N-[(2-chlorophenyl)-(4-phenylpiperazin-1-yl)methylidene]thiophene-2-sulfonamide
Formula:C21H20N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(2-chlorophenyl)-(4-phenylpiperazin-1-yl)methylidene]thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[(2-chlorophenyl)-(4-phenylpiperazin-1-yl)methylidene]thiophene-2-sulfonamide |
| MolecularFormula | C21H20N3O2ClS2 |
| Smiles | O=S(c1cccs1)(/N=C(/c(cccc1)c1Cl)\N(CC1)CCN1c1ccccc1)=O |
| InChI | InChI=1S/C21H20ClN3O2S2/c22-19-10-5-4-9-18(19)21(23-29(26,27)20-11-6-16-28-20)25-14-12-24(13-15-25)17-7-2-1-3-8-17/h1-11,16H,12-15H2 |
| InChIK | KPJNWKZXFSRKDA-UHFFFAOYSA-N |
| TotalMolweight | 445.994 |
| Molweight | 445.994 |
| MonoisotopicMass | 445.068544 |
| CLogP | 4.7362 |
| CLogS | -4.418 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.83 |
| Relative PSA | 0.21253 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | 7.5053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[(2-chlorophenyl)-(4-phenylpiperazin-1-yl)methylidene]thiophene-2-sulfonamide | 2 - (NZ)-N-[(2-chlorophenyl)-(4-phenylpiperazin-1-yl)methylidene]thiophene-2-sulfonamide
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