4-chloro-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
Formula:C26H25N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-chloro-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide |
| MolecularFormula | C26H25N3O3ClFS |
| Smiles | O=C(c(cc(cc1)S(Nc(cc2)ccc2F)(=O)=O)c1Cl)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C26H25ClFN3O3S/c27-25-13-12-23(35(33,34)29-22-10-8-21(28)9-11-22)19-24(25)26(32)31-17-15-30(16-18-31)14-4-7-20-5-2-1-3-6-20/h1-13,19,29H,14-18H2 |
| InChIK | MDVBXNOMLPTFAC-UHFFFAOYSA-N |
| TotalMolweight | 514.02 |
| Molweight | 514.02 |
| MonoisotopicMass | 513.128917 |
| CLogP | 4.6285 |
| CLogS | -5.051 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 374.74 |
| Relative PSA | 0.16059 |
| PolarSurfaceArea | 78.1 |
| Druglikeness | 7.1451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-chloro-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide | 2 - 4-chloro-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
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