N'-(benzenesulfonyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-fluorobenzenecarboximidamide
Formula:C23H21N3O5ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-fluorobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-fluorobenzenecarboximidamide |
| MolecularFormula | C23H21N3O5ClFS2 |
| Smiles | O=S(c(cc(cc1)N/C(/c(cc2)ccc2F)=N/S(c2ccccc2)(=O)=O)c1Cl)(N1CCOCC1)=O |
| InChI | InChI=1S/C23H21ClFN3O5S2/c24-21-11-10-19(16-22(21)35(31,32)28-12-14-33-15-13-28)26-23(17-6-8-18(25)9-7-17)27-34(29,30)20-4-2-1-3-5-20/h1-11,16H,12-15H2,(H,26,27) |
| InChIK | JICSCHGTUPEQFP-UHFFFAOYSA-N |
| TotalMolweight | 538.019 |
| Molweight | 538.019 |
| MonoisotopicMass | 537.059517 |
| CLogP | 3.7593 |
| CLogS | -4.476 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 367.98 |
| Relative PSA | 0.25458 |
| PolarSurfaceArea | 121.9 |
| Druglikeness | -7.125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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