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

C13H8BrClF2O3S — CID 62104790

IUPAC2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C13H8BrClF2O3S/c14-11-5-9(16)2-1-8(11)7-20-12-4-3-10(17)6-13(12)21(15,18)19/h1-6H,7H2
InChIKeyFPDXAKMSLKZCPE-UHFFFAOYSA-N
MW397.62 g/mol
LogP4.23
Rot. Bonds4

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

2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (PubChem CID 62104790) has the molecular formula C13H8BrClF2O3S and a molecular weight of 397.62 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
PubChem CID62104790
Molecular FormulaC13H8BrClF2O3S
Molecular Weight397.62 g/mol
Exact Mass395.90
IUPAC Name2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C13H8BrClF2O3S/c14-11-5-9(16)2-1-8(11)7-20-12-4-3-10(17)6-13(12)21(15,18)19/h1-6H,7H2
InChIKeyFPDXAKMSLKZCPE-UHFFFAOYSA-N
XLogP4.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.62
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (CID 62104790) is 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1OCc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The InChIKey is FPDXAKMSLKZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O3S/c14-11-5-9(16)2-1-8(11)7-20-12-4-3-10(17)6-13(12)21(15,18)19/h1-6H,7H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride has a molecular weight of 397.62 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 62104790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).