(E)-N-(benzenesulfonyl)benzenecarboximidoyl chloride
Formula:C13H10NO2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(benzenesulfonyl)benzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (E)-N-(benzenesulfonyl)benzenecarboximidoyl chloride |
| MolecularFormula | C13H10NO2ClS |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Cl)=O |
| InChI | InChI=1S/C13H10ClNO2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H |
| InChIK | FMGSGATZZHTVKD-UHFFFAOYSA-N |
| TotalMolweight | 279.746 |
| Molweight | 279.746 |
| MonoisotopicMass | 279.012076 |
| CLogP | 2.7854 |
| CLogS | -4.054 |
| H Acceptors | 3 |
| TotalSurfaceArea | 199.99 |
| Relative PSA | 0.20046 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -8.4602 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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