3-(4-bromophenoxy)benzenesulfonyl chloride

C12H8BrClO3S — CID 102537230

IUPAC3-(4-bromophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C12H8BrClO3S/c13-9-4-6-10(7-5-9)17-11-2-1-3-12(8-11)18(14,15)16/h1-8H
InChIKeyMXZQOZOOTKSTOK-UHFFFAOYSA-N
MW347.62 g/mol
LogP4.17
Rot. Bonds3

About 3-(4-bromophenoxy)benzenesulfonyl chloride

3-(4-bromophenoxy)benzenesulfonyl chloride (PubChem CID 102537230) has the molecular formula C12H8BrClO3S and a molecular weight of 347.62 g/mol. Its IUPAC name is 3-(4-bromophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-bromophenoxy)benzenesulfonyl chloride
PubChem CID102537230
Molecular FormulaC12H8BrClO3S
Molecular Weight347.62 g/mol
Exact Mass345.91
IUPAC Name3-(4-bromophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C12H8BrClO3S/c13-9-4-6-10(7-5-9)17-11-2-1-3-12(8-11)18(14,15)16/h1-8H
InChIKeyMXZQOZOOTKSTOK-UHFFFAOYSA-N
XLogP4.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-(4-bromophenoxy)benzenesulfonyl chloride (CID 102537230) is 3-(4-bromophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-(4-bromophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-(4-bromophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenoxy)benzenesulfonyl chloride?
The InChIKey is MXZQOZOOTKSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO3S/c13-9-4-6-10(7-5-9)17-11-2-1-3-12(8-11)18(14,15)16/h1-8H.
What are the key properties of 3-(4-bromophenoxy)benzenesulfonyl chloride?
3-(4-bromophenoxy)benzenesulfonyl chloride has a molecular weight of 347.62 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 102537230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).