2-chloro-N'-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide
Formula:C20H14N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N'-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide is a drug-like molecule.
| MolName | 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide |
| MolecularFormula | C20H14N4O3Cl2S |
| Smiles | O=C1Nc(cc(cc2)N/C(/c(cccc3)c3Cl)=N/S(c(cc3)ccc3Cl)(=O)=O)c2N1 |
| InChI | InChI=1S/C20H14Cl2N4O3S/c21-12-5-8-14(9-6-12)30(28,29)26-19(15-3-1-2-4-16(15)22)23-13-7-10-17-18(11-13)25-20(27)24-17/h1-11H,(H,23,26)(H2,24,25,27) |
| InChIK | OJFGSUSYRNLWEZ-UHFFFAOYSA-N |
| TotalMolweight | 461.328 |
| Molweight | 461.328 |
| MonoisotopicMass | 460.016365 |
| CLogP | 4.1134 |
| CLogS | -6.634 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 313.8 |
| Relative PSA | 0.27887 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | 2.0724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide | 2 - 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off