N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
Formula:C20H16N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H16N4O3S |
| Smiles | O=S(c1ccccc1)(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)=O |
| InChI | InChI=1S/C20H16N4O3S/c25-28(26,18-10-5-2-6-11-18)23-21-14-16-15-24(17-8-3-1-4-9-17)22-20(16)19-12-7-13-27-19/h1-15,23H |
| InChIK | ASRLPFCNHQNOHT-UHFFFAOYSA-N |
| TotalMolweight | 392.438 |
| Molweight | 392.438 |
| MonoisotopicMass | 392.094311 |
| CLogP | 2.4218 |
| CLogS | -2.779 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.99 |
| Relative PSA | 0.28306 |
| PolarSurfaceArea | 97.87 |
| Druglikeness | -2.6997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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