N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide
Formula:C25H18N3O4Cl2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide |
| MolecularFormula | C25H18N3O4Cl2FS2 |
| Smiles | O=S(c(cc(cc1)N/C(/c(cc2)ccc2F)=N\S(c2ccccc2)(=O)=O)c1Cl)(Nc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C25H18Cl2FN3O4S2/c26-21-8-4-5-9-23(21)30-37(34,35)24-16-19(14-15-22(24)27)29-25(17-10-12-18(28)13-11-17)31-36(32,33)20-6-2-1-3-7-20/h1-16,30H,(H,29,31) |
| InChIK | FCFDMXGUPXFVOV-UHFFFAOYSA-N |
| TotalMolweight | 578.471 |
| Molweight | 578.471 |
| MonoisotopicMass | 577.009979 |
| CLogP | 5.6216 |
| CLogS | -7.339 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 392.78 |
| Relative PSA | 0.23318 |
| PolarSurfaceArea | 121.46 |
| Druglikeness | -6.6377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide
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