(NE)-N-[(2-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiophene-2-sulfonamide
Formula:C20H18N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NE)-N-[(2-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiophene-2-sulfonamide |
| MolecularFormula | C20H18N3O4ClS2 |
| Smiles | O=C(c1ccco1)N(CC1)CCN1/C(/c(cccc1)c1Cl)=N/S(c1cccs1)(=O)=O |
| InChI | InChI=1S/C20H18ClN3O4S2/c21-16-6-2-1-5-15(16)19(22-30(26,27)18-8-4-14-29-18)23-9-11-24(12-10-23)20(25)17-7-3-13-28-17/h1-8,13-14H,9-12H2 |
| InChIK | IWWHBRBPQHVQJZ-UHFFFAOYSA-N |
| TotalMolweight | 463.965 |
| Molweight | 463.965 |
| MonoisotopicMass | 463.042724 |
| CLogP | 3.9302 |
| CLogS | -3.707 |
| H Acceptors | 7 |
| TotalSurfaceArea | 325.27 |
| Relative PSA | 0.29114 |
| PolarSurfaceArea | 119.81 |
| Druglikeness | 7.909 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NE)-N-[(2-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiophene-2-sulfonamide | 2 - (NE)-N-[(2-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiophene-2-sulfonamide
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