4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride

C10H11BrClFO3S — CID 83234939

IUPAC4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCOc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrClFO3S/c11-9-7-8(3-4-10(9)13)16-5-1-2-6-17(12,14)15/h3-4,7H,1-2,5-6H2
InChIKeyBMYYVPLOMVQTRJ-UHFFFAOYSA-N
MW345.62 g/mol
LogP3.32
Rot. Bonds6

About 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride

4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride (PubChem CID 83234939) has the molecular formula C10H11BrClFO3S and a molecular weight of 345.62 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
PubChem CID83234939
Molecular FormulaC10H11BrClFO3S
Molecular Weight345.62 g/mol
Exact Mass343.93
IUPAC Name4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCOc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrClFO3S/c11-9-7-8(3-4-10(9)13)16-5-1-2-6-17(12,14)15/h3-4,7H,1-2,5-6H2
InChIKeyBMYYVPLOMVQTRJ-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-4-fluorophenoxy)propane-1-sulfonyl chloride
CID 83235024
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502
3-(3-bromo-4-fluorophenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 83233942
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
5-(3-bromo-4-fluorophenoxy)-3-methylpentane-1-sulfonamide
CID 83234940
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
CID 65202554
6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
CID 82727709
4-(3-bromo-4-fluorophenoxy)-N-tert-butylbutan-1-amine
CID 83234495

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride (CID 83234939) is 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCOc1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride?
The InChIKey is BMYYVPLOMVQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO3S/c11-9-7-8(3-4-10(9)13)16-5-1-2-6-17(12,14)15/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride?
4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride has a molecular weight of 345.62 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride is sourced from PubChem (CID 83234939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).