4-chloro-N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
Formula:C20H15N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H15N4O3ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)=O |
| InChI | InChI=1S/C20H15ClN4O3S/c21-16-8-10-18(11-9-16)29(26,27)24-22-13-15-14-25(17-5-2-1-3-6-17)23-20(15)19-7-4-12-28-19/h1-14,24H |
| InChIK | MVCWGCWPSGOQIM-UHFFFAOYSA-N |
| TotalMolweight | 426.883 |
| Molweight | 426.883 |
| MonoisotopicMass | 426.055338 |
| CLogP | 3.0278 |
| CLogS | -3.515 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 310.41 |
| Relative PSA | 0.269 |
| PolarSurfaceArea | 97.87 |
| Druglikeness | 5.545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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1 - 4-chloro-N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide | 2 - 4-chloro-N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
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