5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

C8H4BrCl2F3O3S — CID 43121795

IUPAC5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C8H4BrCl2F3O3S/c9-4-1-5(10)7(17-3-8(12,13)14)6(2-4)18(11,15)16/h1-2H,3H2
InChIKeyBCVZKLOLPUPKNH-UHFFFAOYSA-N
MW387.99 g/mol
LogP3.97
Rot. Bonds3

About 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (PubChem CID 43121795) has the molecular formula C8H4BrCl2F3O3S and a molecular weight of 387.99 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
PubChem CID43121795
Molecular FormulaC8H4BrCl2F3O3S
Molecular Weight387.99 g/mol
Exact Mass385.84
IUPAC Name5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C8H4BrCl2F3O3S/c9-4-1-5(10)7(17-3-8(12,13)14)6(2-4)18(11,15)16/h1-2H,3H2
InChIKeyBCVZKLOLPUPKNH-UHFFFAOYSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.99
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (CID 43121795) is 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC(F)(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The InChIKey is BCVZKLOLPUPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2F3O3S/c9-4-1-5(10)7(17-3-8(12,13)14)6(2-4)18(11,15)16/h1-2H,3H2.
What are the key properties of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride has a molecular weight of 387.99 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 43121795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).