N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
Formula:C27H20N5O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C27H20N5O4ClS2 |
| Smiles | O=S(c(cc1)ccc1N/C(/c1ccccc1)=N/S(c(cc1)ccc1Cl)(=O)=O)(Nc1nc2ccccc2nc1)=O |
| InChI | InChI=1S/C27H20ClN5O4S2/c28-20-10-14-22(15-11-20)39(36,37)33-27(19-6-2-1-3-7-19)30-21-12-16-23(17-13-21)38(34,35)32-26-18-29-24-8-4-5-9-25(24)31-26/h1-18H,(H,30,33)(H,31,32) |
| InChIK | MFEKYMZHRYIDFD-UHFFFAOYSA-N |
| TotalMolweight | 578.072 |
| Molweight | 578.072 |
| MonoisotopicMass | 577.064522 |
| CLogP | 4.7038 |
| CLogS | -6.62 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 403.13 |
| Relative PSA | 0.28162 |
| PolarSurfaceArea | 147.24 |
| Druglikeness | 4.0003 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide | 2 - N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off