2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride

C10H11BrClFO4S — CID 81325559

IUPAC2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCCOc1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrClFO4S/c11-8-5-9(13)7-10(6-8)17-2-1-16-3-4-18(12,14)15/h5-7H,1-4H2
InChIKeyFUEXXCZVPBIXLQ-UHFFFAOYSA-N
MW361.62 g/mol
LogP2.55
Rot. Bonds7

About 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride

2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride (PubChem CID 81325559) has the molecular formula C10H11BrClFO4S and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride
PubChem CID81325559
Molecular FormulaC10H11BrClFO4S
Molecular Weight361.62 g/mol
Exact Mass359.92
IUPAC Name2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCCOc1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrClFO4S/c11-8-5-9(13)7-10(6-8)17-2-1-16-3-4-18(12,14)15/h5-7H,1-4H2
InChIKeyFUEXXCZVPBIXLQ-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride?
The IUPAC name of 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride (CID 81325559) is 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride.
What is the SMILES notation for 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride?
The canonical SMILES for 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride is O=S(=O)(Cl)CCOCCOc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride?
The InChIKey is FUEXXCZVPBIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO4S/c11-8-5-9(13)7-10(6-8)17-2-1-16-3-4-18(12,14)15/h5-7H,1-4H2.
What are the key properties of 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride?
2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride has a molecular weight of 361.62 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride is sourced from PubChem (CID 81325559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).