(E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidoyl chloride
Formula:C13H9NO2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidoyl chloride |
| MolecularFormula | C13H9NO2Cl2S |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c1ccccc1)/Cl)=O |
| InChI | InChI=1S/C13H9Cl2NO2S/c14-11-6-8-12(9-7-11)19(17,18)16-13(15)10-4-2-1-3-5-10/h1-9H |
| InChIK | JMSIBHGFTPRKEN-UHFFFAOYSA-N |
| TotalMolweight | 314.191 |
| Molweight | 314.191 |
| MonoisotopicMass | 312.973103 |
| CLogP | 3.3914 |
| CLogS | -4.79 |
| H Acceptors | 3 |
| TotalSurfaceArea | 215.41 |
| Relative PSA | 0.18611 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | 0.21641 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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