4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Formula:C23H21N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide |
| MolecularFormula | C23H21N3O2S |
| Smiles | NS(c(cc1)ccc1N(C(C1)c2ccccc2)N=C1/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C23H21N3O2S/c24-29(27,28)22-15-13-21(14-16-22)26-23(19-9-5-2-6-10-19)17-20(25-26)12-11-18-7-3-1-4-8-18/h1-16,23H,17H2,(H2,24,27,28)/t23-/m0/s1 |
| InChIK | WESBKTFDNQYPMR-QHCPKHFHSA-N |
| TotalMolweight | 403.505 |
| Molweight | 403.505 |
| MonoisotopicMass | 403.135447 |
| CLogP | 4.436 |
| CLogS | -4.594 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.41 |
| Relative PSA | 0.1948 |
| PolarSurfaceArea | 84.14 |
| Druglikeness | 4.0073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide | 2 - 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
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