N'-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide
Formula:C22H18N4O4S3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
N'-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C22H18N4O4S3 |
| Smiles | O=S(c(cc1)ccc1N/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)(Nc1nccs1)=O |
| InChI | InChI=1S/C22H18N4O4S3/c27-32(28,19-9-5-2-6-10-19)25-21(17-7-3-1-4-8-17)24-18-11-13-20(14-12-18)33(29,30)26-22-23-15-16-31-22/h1-16H,(H,23,26)(H,24,25) |
| InChIK | MUTPYANRIYPZKZ-UHFFFAOYSA-N |
| TotalMolweight | 498.607 |
| Molweight | 498.607 |
| MonoisotopicMass | 498.049016 |
| CLogP | 3.9341 |
| CLogS | -5.286 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 350.29 |
| Relative PSA | 0.35091 |
| PolarSurfaceArea | 162.59 |
| Druglikeness | -2.3836 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off