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

C8H5BrCl2F2O3S — CID 60922148

IUPAC5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC(F)F
InChIInChI=1S/C8H5BrCl2F2O3S/c9-4-1-5(10)8(16-3-7(12)13)6(2-4)17(11,14)15/h1-2,7H,3H2
InChIKeyGHADDOQRKHTCEL-UHFFFAOYSA-N
MW370.00 g/mol
LogP3.67
Rot. Bonds4

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

5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride (PubChem CID 60922148) has the molecular formula C8H5BrCl2F2O3S and a molecular weight of 370.00 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride
PubChem CID60922148
Molecular FormulaC8H5BrCl2F2O3S
Molecular Weight370.00 g/mol
Exact Mass367.85
IUPAC Name5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC(F)F
InChIInChI=1S/C8H5BrCl2F2O3S/c9-4-1-5(10)8(16-3-7(12)13)6(2-4)17(11,14)15/h1-2,7H,3H2
InChIKeyGHADDOQRKHTCEL-UHFFFAOYSA-N
XLogP3.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.00
LogP ≤ 53.67
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-difluoroethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride (CID 60922148) is 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride?
The InChIKey is GHADDOQRKHTCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2F2O3S/c9-4-1-5(10)8(16-3-7(12)13)6(2-4)17(11,14)15/h1-2,7H,3H2.
What are the key properties of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride?
5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride has a molecular weight of 370.00 g/mol, XLogP of 3.67, 4 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-difluoroethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 60922148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).