4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Formula:C15H10N3O3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| MolecularFormula | C15H10N3O3F3S2 |
| Smiles | NS(c(cc1)ccc1N(C1=O)N=C(C(F)(F)F)/C1=C/c1cccs1)(=O)=O |
| InChI | InChI=1S/C15H10F3N3O3S2/c16-15(17,18)13-12(8-10-2-1-7-25-10)14(22)21(20-13)9-3-5-11(6-4-9)26(19,23)24/h1-8H,(H2,19,23,24) |
| InChIK | WJKUADMDFNDQNW-UHFFFAOYSA-N |
| TotalMolweight | 401.388 |
| Molweight | 401.388 |
| MonoisotopicMass | 401.011566 |
| CLogP | 2.6787 |
| CLogS | -4.086 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.75 |
| Relative PSA | 0.35814 |
| PolarSurfaceArea | 129.45 |
| Druglikeness | -4.8132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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