3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride

C12H6Br2ClFO3S — CID 81331848

IUPAC3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2cc(F)cc(Br)c2)c(Br)c1
InChIInChI=1S/C12H6Br2ClFO3S/c13-7-3-8(16)5-9(4-7)19-12-2-1-10(6-11(12)14)20(15,17)18/h1-6H
InChIKeyWJFHVRHXONTENT-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.07
Rot. Bonds3

About 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride

3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride (PubChem CID 81331848) has the molecular formula C12H6Br2ClFO3S and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride
PubChem CID81331848
Molecular FormulaC12H6Br2ClFO3S
Molecular Weight444.50 g/mol
Exact Mass441.81
IUPAC Name3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2cc(F)cc(Br)c2)c(Br)c1
InChIInChI=1S/C12H6Br2ClFO3S/c13-7-3-8(16)5-9(4-7)19-12-2-1-10(6-11(12)14)20(15,17)18/h1-6H
InChIKeyWJFHVRHXONTENT-UHFFFAOYSA-N
XLogP5.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
2-bromo-4-(difluoromethylsulfonyl)-1-(3-fluoro-5-isocyanophenoxy)benzene
CID 140735796
1-[3-bromo-4-(3-bromo-5-fluorophenoxy)phenyl]-N-methylethanamine
CID 81332054
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
CID 81331815
3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride
CID 105370580
2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
CID 80752387
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride (CID 81331848) is 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2cc(F)cc(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride?
The InChIKey is WJFHVRHXONTENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClFO3S/c13-7-3-8(16)5-9(4-7)19-12-2-1-10(6-11(12)14)20(15,17)18/h1-6H.
What are the key properties of 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride?
3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride has a molecular weight of 444.50 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-bromo-5-fluorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 81331848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).