4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride

C12H8BrClFNO3S — CID 104796562

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C12H8BrClFNO3S/c13-8-1-2-9(16-6-8)7-19-12-4-3-10(5-11(12)15)20(14,17)18/h1-6H,7H2
InChIKeyXQPWDWNDCCMINZ-UHFFFAOYSA-N
MW380.62 g/mol
LogP3.49
Rot. Bonds4

About 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride

4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride (PubChem CID 104796562) has the molecular formula C12H8BrClFNO3S and a molecular weight of 380.62 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
PubChem CID104796562
Molecular FormulaC12H8BrClFNO3S
Molecular Weight380.62 g/mol
Exact Mass378.91
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C12H8BrClFNO3S/c13-8-1-2-9(16-6-8)7-19-12-4-3-10(5-11(12)15)20(14,17)18/h1-6H,7H2
InChIKeyXQPWDWNDCCMINZ-UHFFFAOYSA-N
XLogP3.49
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 104796604
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
CID 104796586
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 43095452
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride (CID 104796562) is 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cn2)c(F)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride?
The InChIKey is XQPWDWNDCCMINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO3S/c13-8-1-2-9(16-6-8)7-19-12-4-3-10(5-11(12)15)20(14,17)18/h1-6H,7H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride?
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride has a molecular weight of 380.62 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 104796562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).