3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride

C12H8Br2ClNO3S — CID 104796585

IUPAC3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2cncc(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2ClNO3S/c13-9-3-8(5-16-6-9)7-19-12-2-1-10(4-11(12)14)20(15,17)18/h1-6H,7H2
InChIKeyRKZYBPRDOCLNOF-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.11
Rot. Bonds4

About 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride

3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride (PubChem CID 104796585) has the molecular formula C12H8Br2ClNO3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
PubChem CID104796585
Molecular FormulaC12H8Br2ClNO3S
Molecular Weight441.53 g/mol
Exact Mass438.83
IUPAC Name3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2cncc(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2ClNO3S/c13-9-3-8(5-16-6-9)7-19-12-2-1-10(4-11(12)14)20(15,17)18/h1-6H,7H2
InChIKeyRKZYBPRDOCLNOF-UHFFFAOYSA-N
XLogP4.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
CID 113454566
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936
3-bromo-5-[[2-(bromomethyl)-4-nitrophenoxy]methyl]pyridine
CID 104799091
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
3-bromo-4-[(5-fluoro-2-methylphenyl)methoxy]benzenesulfonyl chloride
CID 105370580
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[[5-(chloromethyl)-2-nitrophenoxy]methyl]pyridine
CID 104799147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride (CID 104796585) is 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2cncc(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride?
The InChIKey is RKZYBPRDOCLNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNO3S/c13-9-3-8(5-16-6-9)7-19-12-2-1-10(4-11(12)14)20(15,17)18/h1-6H,7H2.
What are the key properties of 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride?
3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride has a molecular weight of 441.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 104796585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).