N-(4-iodophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C17H13N2O2IS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-iodophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-(4-iodophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C17H13N2O2IS2 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Nc(cc1)ccc1I)=O |
| InChI | InChI=1S/C17H13IN2O2S2/c18-14-8-10-15(11-9-14)19-17(13-5-2-1-3-6-13)20-24(21,22)16-7-4-12-23-16/h1-12H,(H,19,20) |
| InChIK | CJRVJORPIPVMBW-UHFFFAOYSA-N |
| TotalMolweight | 468.334 |
| Molweight | 468.334 |
| MonoisotopicMass | 467.946316 |
| CLogP | 4.4359 |
| CLogS | -5.153 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.01 |
| Relative PSA | 0.25866 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | 2.513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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