4-[2-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide
Formula:C26H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[2-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide |
| MolecularFormula | C26H20N4O3S |
| Smiles | NS(c(cc1)ccc1-n1c(/C=C(/C(c2ccccc2)=NN2c3ccccc3)\C2=O)ccc1)(=O)=O |
| InChI | InChI=1S/C26H20N4O3S/c27-34(32,33)23-15-13-20(14-16-23)29-17-7-12-22(29)18-24-25(19-8-3-1-4-9-19)28-30(26(24)31)21-10-5-2-6-11-21/h1-18H,(H2,27,32,33) |
| InChIK | DDWZTMRTCXRDDY-UHFFFAOYSA-N |
| TotalMolweight | 468.536 |
| Molweight | 468.536 |
| MonoisotopicMass | 468.125611 |
| CLogP | 3.7897 |
| CLogS | -7.067 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 341.07 |
| Relative PSA | 0.2311 |
| PolarSurfaceArea | 106.14 |
| Druglikeness | 7.3179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[2-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide | 2 - 4-[2-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide
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