(E)-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
Formula:C11H8NO2ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (E)-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride |
| MolecularFormula | C11H8NO2ClS2 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Cl)=O |
| InChI | InChI=1S/C11H8ClNO2S2/c12-11(9-5-2-1-3-6-9)13-17(14,15)10-7-4-8-16-10/h1-8H |
| InChIK | PXABJGXVTJGPEE-UHFFFAOYSA-N |
| TotalMolweight | 285.775 |
| Molweight | 285.775 |
| MonoisotopicMass | 284.968496 |
| CLogP | 2.7745 |
| CLogS | -3.971 |
| H Acceptors | 3 |
| TotalSurfaceArea | 195.93 |
| Relative PSA | 0.30853 |
| PolarSurfaceArea | 83.12 |
| Druglikeness | -0.6175 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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