Octadecane-1-sulphonyl chloride
PubChem CID: 66281
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| Compound Synonyms | 1-OCTADECANESULFONYL CHLORIDE, 10147-41-8, octadecane-1-sulfonyl chloride, Octadecane-1-sulphonyl chloride, EINECS 233-417-3, DTXSID20143943, 1-Octadecanesulphonyl chloride, octadecanesulfonylchloride, octadecanesulfonyl chloride, SCHEMBL743460, DTXCID2066434, MFCD00051521, AKOS016016482, NS00044772, 233-417-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCS=O)=O)Cl |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Sulfonyl halides |
| Classyfire Subclass | Sulfonyl chlorides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadecane-1-sulfonyl chloride |
| Veber Rule | False |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 9.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H37ClO2S |
| Inchi Key | VDRWNKIQBYUKGD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | 1-octadecanesulphonyl chloride |
| Esol Class | Poorly soluble |
| Functional Groups | CS(=O)(=O)Cl |
| Compound Name | Octadecane-1-sulphonyl chloride |
| Exact Mass | 352.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.22 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 353.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014