N-(2,5-dichlorophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C17H12N2O2Cl2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C17H12N2O2Cl2S2 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Nc(cc(cc1)Cl)c1Cl)=O |
| InChI | InChI=1S/C17H12Cl2N2O2S2/c18-13-8-9-14(19)15(11-13)20-17(12-5-2-1-3-6-12)21-25(22,23)16-7-4-10-24-16/h1-11H,(H,20,21) |
| InChIK | GOTKGNQTLSJKQN-UHFFFAOYSA-N |
| TotalMolweight | 411.332 |
| Molweight | 411.332 |
| MonoisotopicMass | 409.971722 |
| CLogP | 5.2108 |
| CLogS | -5.609 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.57 |
| Relative PSA | 0.25449 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | 3.0603 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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