5-bromo-2-methoxybenzenesulfonyl fluoride

C7H6BrFO3S — CID 82305399

IUPAC5-bromo-2-methoxybenzenesulfonyl fluoride
SMILESCOc1ccc(Br)cc1S(=O)(=O)F
InChIInChI=1S/C7H6BrFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKeySQXFRZSRCGSBKW-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.12
Rot. Bonds2

About 5-bromo-2-methoxybenzenesulfonyl fluoride

5-bromo-2-methoxybenzenesulfonyl fluoride (PubChem CID 82305399) has the molecular formula C7H6BrFO3S and a molecular weight of 269.09 g/mol. Its IUPAC name is 5-bromo-2-methoxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-bromo-2-methoxybenzenesulfonyl fluoride
PubChem CID82305399
Molecular FormulaC7H6BrFO3S
Molecular Weight269.09 g/mol
Exact Mass267.92
IUPAC Name5-bromo-2-methoxybenzenesulfonyl fluoride
SMILESCOc1ccc(Br)cc1S(=O)(=O)F
InChIInChI=1S/C7H6BrFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKeySQXFRZSRCGSBKW-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxybenzenesulfonyl fluoride?
The IUPAC name of 5-bromo-2-methoxybenzenesulfonyl fluoride (CID 82305399) is 5-bromo-2-methoxybenzenesulfonyl fluoride.
What is the SMILES notation for 5-bromo-2-methoxybenzenesulfonyl fluoride?
The canonical SMILES for 5-bromo-2-methoxybenzenesulfonyl fluoride is COc1ccc(Br)cc1S(=O)(=O)F.
What is the InChIKey of 5-bromo-2-methoxybenzenesulfonyl fluoride?
The InChIKey is SQXFRZSRCGSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3.
What are the key properties of 5-bromo-2-methoxybenzenesulfonyl fluoride?
5-bromo-2-methoxybenzenesulfonyl fluoride has a molecular weight of 269.09 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxybenzenesulfonyl fluoride is sourced from PubChem (CID 82305399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).