4-(benzenesulfonamido)-N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Formula:C29H22N5O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzenesulfonamido)-N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(benzenesulfonamido)-N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C29H22N5O3BrS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br |
| InChI | InChI=1S/C29H22BrN5O3S/c30-24-15-11-21(12-16-24)28-23(20-35(33-28)26-7-3-1-4-8-26)19-31-32-29(36)22-13-17-25(18-14-22)34-39(37,38)27-9-5-2-6-10-27/h1-20,34H,(H,32,36) |
| InChIK | MXHAYWVEGUVWCB-UHFFFAOYSA-N |
| TotalMolweight | 600.496 |
| Molweight | 600.496 |
| MonoisotopicMass | 599.062671 |
| CLogP | 5.1449 |
| CLogS | -7.401 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 412.9 |
| Relative PSA | 0.22739 |
| PolarSurfaceArea | 113.83 |
| Druglikeness | -0.85206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-(benzenesulfonamido)-N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide | 2 - 4-(benzenesulfonamido)-N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off