N-[(3-chlorobenzoyl)amino]-N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
Formula:C20H15N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(3-chlorobenzoyl)amino]-N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-[(3-chlorobenzoyl)amino]-N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C20H15N3O3Cl2S |
| Smiles | O=C(c1cccc(Cl)c1)NN/C(/c1ccccc1)=N/S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C20H15Cl2N3O3S/c21-16-9-11-18(12-10-16)29(27,28)25-19(14-5-2-1-3-6-14)23-24-20(26)15-7-4-8-17(22)13-15/h1-13H,(H,23,25)(H,24,26) |
| InChIK | CQDUNRBHNLRQBJ-UHFFFAOYSA-N |
| TotalMolweight | 448.329 |
| Molweight | 448.329 |
| MonoisotopicMass | 447.021116 |
| CLogP | 4.0322 |
| CLogS | -5.874 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 315.84 |
| Relative PSA | 0.24079 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | 3.0349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(3-chlorobenzoyl)amino]-N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide | 2 - N-[(3-chlorobenzoyl)amino]-N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
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