4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide (CEL) Summary
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- 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide (CEL) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S1.1-C15.2-C14.3-C13.43-2-1-0 S1.4-C15.3-C14.2-C13.1 | 175.777 | Rigid |
| 2 | S1.1-C15.2-C16.7-C17.65-6-1-0 S1.6-C15.7-C16.2-C17.1 | -175.612 | Rigid |
| 3 | C15.2-C14.3-C13.4-C12.54-3-2-1 C15.5-C14.4-C13.3-C12.2 | -0.558 | Rigid Ring |
| 4 | C15.2-C16.7-C17.6-C12.54-5-6-1 C15.5-C16.6-C17.7-C12.2 | -0.018 | Rigid Ring |
| 5 | C14.3-C15.2-C16.7-C17.65-6-1-2 C14.6-C15.7-C16.2-C17.3 | 0.226 | Rigid Ring |
| 6 | C14.3-C13.4-C12.5-C17.65-4-3-2 C14.6-C13.5-C12.4-C17.3 | 0.778 | Rigid Ring |
| 7 | C14.3-C13.4-C12.5-N2.87-4-3-2 C14.8-C13.5-C12.4-N2.3 | -175.247 | Rigid |
| 8 | C13.4-C14.3-C15.2-C16.76-1-2-3 C13.7-C14.2-C15.3-C16.4 | 0.063 | Rigid Ring |
| 9 | C13.4-C12.5-C17.6-C16.76-5-4-3 C13.7-C12.6-C17.5-C16.4 | -0.491 | Rigid Ring |
| 10 | C13.4-C12.5-N2.8-C3.98-7-4-3 C13.9-C12.8-N2.5-C3.4 | -57.661 | Flexible |
| 11 | C13.4-C12.5-N2.8-N1.2322-7-4-3 C13.23-C12.8-N2.5-N1.4 | 116.567 | Flexible |
| 12 | C12.5-N2.8-C3.9-C5.109-8-7-4 C12.10-N2.9-C3.8-C5.5 | -8.495 | Rigid |
| 13 | C12.5-N2.8-C3.9-C2.1716-8-7-4 C12.17-N2.9-C3.8-C2.5 | 178.429 | Rigid |
| 14 | C12.5-N2.8-N1.23-C1.1817-22-7-4 C12.18-N2.23-N1.8-C1.5 | -178.042 | Rigid |
| 15 | C17.6-C12.5-N2.8-C3.98-7-4-5 C17.9-C12.8-N2.5-C3.6 | 126.246 | Flexible |
| 16 | C17.6-C12.5-N2.8-N1.2322-7-4-5 C17.23-C12.8-N2.5-N1.6 | -59.526 | Flexible |
| 17 | C16.7-C17.6-C12.5-N2.87-4-5-6 C16.8-C17.5-C12.6-N2.7 | 175.436 | Rigid |
| 18 | N2.8-C3.9-C5.10-C10.1110-9-8-7 N2.11-C3.10-C5.9-C10.8 | -40.565 | Flexible |
| 19 | N2.8-C3.9-C5.10-C6.1615-9-8-7 N2.16-C3.10-C5.9-C6.8 | 137.545 | Flexible |
| 20 | N2.8-C3.9-C2.17-C1.1817-16-8-7 N2.18-C3.17-C2.9-C1.8 | -3.833 | Rigid Ring |
| 21 | N2.8-N1.23-C1.18-C2.1716-17-22-7 N2.17-N1.18-C1.23-C2.8 | -0.116 | Rigid Ring |
| 22 | N2.8-N1.23-C1.18-C4.1918-17-22-7 N2.19-N1.18-C1.23-C4.8 | 179.14 | Rigid |
| 23 | C3.9-N2.8-N1.23-C1.1817-22-7-8 C3.18-N2.23-N1.8-C1.9 | -2.457 | Rigid Ring |
| 24 | C3.9-C5.10-C10.11-C9.1211-10-9-8 C3.12-C5.11-C10.10-C9.9 | -178.286 | Rigid |
| 25 | C3.9-C5.10-C6.16-C7.1514-15-9-8 C3.15-C5.16-C6.10-C7.9 | -178.629 | Rigid |
| 26 | C3.9-C2.17-C1.18-C4.1918-17-16-8 C3.19-C2.18-C1.17-C4.9 | -176.681 | Rigid |
| 27 | C3.9-C2.17-C1.18-N1.2322-17-16-8 C3.23-C2.18-C1.17-N1.9 | 2.514 | Rigid Ring |
| 28 | C5.10-C3.9-N2.8-N1.2322-7-8-9 C5.23-C3.8-N2.9-N1.10 | 177.101 | Rigid |
| 29 | C5.10-C3.9-C2.17-C1.1817-16-8-9 C5.18-C3.17-C2.9-C1.10 | -177.582 | Rigid |
| 30 | C5.10-C10.11-C9.12-C8.1312-11-10-9 C5.13-C10.12-C9.11-C8.10 | -2.571 | Rigid Ring |
| 31 | C5.10-C6.16-C7.15-C8.1312-14-15-9 C5.13-C6.15-C7.16-C8.10 | -3.359 | Rigid Ring |
| 32 | C10.11-C5.10-C3.9-C2.1716-8-9-10 C10.17-C5.9-C3.10-C2.11 | 131.555 | Flexible |
| 33 | C10.11-C5.10-C6.16-C7.1514-15-9-10 C10.15-C5.16-C6.10-C7.11 | -0.541 | Rigid Ring |
| 34 | C10.11-C9.12-C8.13-C11.1413-12-11-10 C10.14-C9.13-C8.12-C11.11 | 179.749 | Rigid |
| 35 | C10.11-C9.12-C8.13-C7.1514-12-11-10 C10.15-C9.13-C8.12-C7.11 | -1.36 | Rigid Ring |
| 36 | C9.12-C10.11-C5.10-C6.1615-9-10-11 C9.16-C10.10-C5.11-C6.12 | 3.521 | Rigid Ring |
| 37 | C9.12-C8.13-C7.15-C6.1615-14-12-11 C9.16-C8.15-C7.13-C6.12 | 4.306 | Rigid Ring |
| 38 | C11.14-C8.13-C7.15-C6.1615-14-12-13 C11.16-C8.15-C7.13-C6.14 | -176.817 | Rigid |
| 39 | C6.16-C5.10-C3.9-C2.1716-8-9-15 C6.17-C5.9-C3.10-C2.16 | -50.334 | Flexible |
| 40 | C2.17-C3.9-N2.8-N1.2322-7-8-16 C2.23-C3.8-N2.9-N1.17 | 4.025 | Rigid Ring |
| 41 | C2.17-C1.18-C4.19-F3.2019-18-17-16 C2.20-C1.19-C4.18-F3.17 | -72.107 | Flexible |
| 42 | C2.17-C1.18-C4.19-F2.2120-18-17-16 C2.21-C1.19-C4.18-F2.17 | 160.715 | Flexible |
| 43 | C2.17-C1.18-C4.19-F1.2221-18-17-16 C2.22-C1.19-C4.18-F1.17 | 46.273 | Flexible |
| 44 | F3.20-C4.19-C1.18-N1.2322-17-18-19 F3.23-C4.18-C1.19-N1.20 | 108.764 | Flexible |
| 45 | F2.21-C4.19-C1.18-N1.2322-17-18-20 F2.23-C4.18-C1.19-N1.21 | -18.415 | Flexible |
| 46 | F1.22-C4.19-C1.18-N1.2322-17-18-21 F1.23-C4.18-C1.19-N1.22 | -132.856 | Flexible |
| 47 | N3.24-S1.1-C15.2-C14.32-1-0-23 N3.3-S1.2-C15.1-C14.24 | 131.118 | Flexible |
| 48 | N3.24-S1.1-C15.2-C16.76-1-0-23 N3.7-S1.2-C15.1-C16.24 | -52.972 | Flexible |
| 49 | O2.25-S1.1-C15.2-C14.32-1-0-24 O2.3-S1.2-C15.1-C14.25 | 12.886 | Flexible |
| 50 | O2.25-S1.1-C15.2-C16.76-1-0-24 O2.7-S1.2-C15.1-C16.25 | -171.204 | Flexible |
| 51 | O1.26-S1.1-C15.2-C14.32-1-0-25 O1.3-S1.2-C15.1-C14.26 | -111.367 | Flexible |
| 52 | O1.26-S1.1-C15.2-C16.76-1-0-25 O1.7-S1.2-C15.1-C16.26 | 64.542 | Flexible |
Dihedrals Histogram