5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride

C12H7Br2ClO3S — CID 86023753

IUPAC5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H7Br2ClO3S/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17/h1-7H
InChIKeyUOEXYVZGKJQPRE-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.93
Rot. Bonds3

About 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride

5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride (PubChem CID 86023753) has the molecular formula C12H7Br2ClO3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride
PubChem CID86023753
Molecular FormulaC12H7Br2ClO3S
Molecular Weight426.51 g/mol
Exact Mass423.82
IUPAC Name5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H7Br2ClO3S/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17/h1-7H
InChIKeyUOEXYVZGKJQPRE-UHFFFAOYSA-N
XLogP4.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride
CID 64747891
3-chlorosulfonyl-4-phenoxybenzoic acid
CID 125468626
3-(4-bromophenoxy)benzenesulfonyl chloride
CID 102537230
2-(4-chlorophenoxy)benzenesulfonyl chloride
CID 18687924
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82910581
5-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonyl chloride
CID 82910911
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
5-bromo-1,3-dichloro-2-(4-methoxy-3-methylsulfonylphenoxy)benzene;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxybenzenesulfonyl chloride
CID 162198444
5-bromo-2-[[1-(cyanomethyl)cyclopropyl]methoxy]benzenesulfonyl chloride
CID 82910176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride (CID 86023753) is 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride?
The InChIKey is UOEXYVZGKJQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClO3S/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17/h1-7H.
What are the key properties of 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride?
5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride has a molecular weight of 426.51 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 86023753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).