4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride

C12H7BrClFO3S — CID 83231735

IUPAC4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C12H7BrClFO3S/c13-11-7-9(3-6-12(11)15)18-8-1-4-10(5-2-8)19(14,16)17/h1-7H
InChIKeyCBUZLPJAXVIPRU-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.31
Rot. Bonds3

About 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride

4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride (PubChem CID 83231735) has the molecular formula C12H7BrClFO3S and a molecular weight of 365.61 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride
PubChem CID83231735
Molecular FormulaC12H7BrClFO3S
Molecular Weight365.61 g/mol
Exact Mass363.90
IUPAC Name4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C12H7BrClFO3S/c13-11-7-9(3-6-12(11)15)18-8-1-4-10(5-2-8)19(14,16)17/h1-7H
InChIKeyCBUZLPJAXVIPRU-UHFFFAOYSA-N
XLogP4.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride (CID 83231735) is 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride?
The InChIKey is CBUZLPJAXVIPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO3S/c13-11-7-9(3-6-12(11)15)18-8-1-4-10(5-2-8)19(14,16)17/h1-7H.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride?
4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride has a molecular weight of 365.61 g/mol, XLogP of 4.31, 3 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)benzenesulfonyl chloride is sourced from PubChem (CID 83231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).