5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

C8H5Cl2F3O3S — CID 14011121

IUPAC5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C8H5Cl2F3O3S/c9-5-1-2-6(16-4-8(11,12)13)7(3-5)17(10,14)15/h1-3H,4H2
InChIKeyZAVNJIJCQJJTGX-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.21
Rot. Bonds3

About 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (PubChem CID 14011121) has the molecular formula C8H5Cl2F3O3S and a molecular weight of 309.09 g/mol. Its IUPAC name is 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
PubChem CID14011121
Molecular FormulaC8H5Cl2F3O3S
Molecular Weight309.09 g/mol
Exact Mass307.93
IUPAC Name5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C8H5Cl2F3O3S/c9-5-1-2-6(16-4-8(11,12)13)7(3-5)17(10,14)15/h1-3H,4H2
InChIKeyZAVNJIJCQJJTGX-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (CID 14011121) is 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The InChIKey is ZAVNJIJCQJJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3O3S/c9-5-1-2-6(16-4-8(11,12)13)7(3-5)17(10,14)15/h1-3H,4H2.
What are the key properties of 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride has a molecular weight of 309.09 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 14011121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).