2-bromo-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
Formula:C19H14N2O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide is not a drug-like molecule.
| MolName | 2-bromo-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide |
| MolecularFormula | C19H14N2O2BrClS |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(/c(cccc1)c1Br)\Nc1ccccc1)=O |
| InChI | InChI=1S/C19H14BrClN2O2S/c20-18-9-5-4-8-17(18)19(22-15-6-2-1-3-7-15)23-26(24,25)16-12-10-14(21)11-13-16/h1-13H,(H,22,23) |
| InChIK | RCBDZQAGOUYLGE-UHFFFAOYSA-N |
| TotalMolweight | 449.755 |
| Molweight | 449.755 |
| MonoisotopicMass | 447.964786 |
| CLogP | 5.3409 |
| CLogS | -5.79 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.84 |
| Relative PSA | 0.17786 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -2.4983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide | 2 - 2-bromo-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off