3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
Formula:C27H20N5O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C27H20N5O3ClS2 |
| Smiles | O=C(c1cccc(S(Nc(cccc2)c2Cl)(=O)=O)c1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C27H20ClN5O3S2/c28-23-12-4-5-13-24(23)32-38(35,36)22-11-6-8-19(16-22)27(34)30-29-17-20-18-33(21-9-2-1-3-10-21)31-26(20)25-14-7-15-37-25/h1-18,32H,(H,30,34) |
| InChIK | XPCMIBKAZYNXDK-UHFFFAOYSA-N |
| TotalMolweight | 562.073 |
| Molweight | 562.073 |
| MonoisotopicMass | 561.069607 |
| CLogP | 5.0492 |
| CLogS | -7.224 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 405.63 |
| Relative PSA | 0.28166 |
| PolarSurfaceArea | 142.07 |
| Druglikeness | 4.0917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide | 2 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
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