3-fluoro-2-methoxybenzenesulfonyl chloride

C7H6ClFO3S — CID 55279122

IUPAC3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO3S/c1-12-7-5(9)3-2-4-6(7)13(8,10)11/h2-4H,1H3
InChIKeyHNWSEIOPNICFIJ-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.76
Rot. Bonds2

About 3-fluoro-2-methoxybenzenesulfonyl chloride

3-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 55279122) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 3-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID55279122
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name3-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO3S/c1-12-7-5(9)3-2-4-6(7)13(8,10)11/h2-4H,1H3
InChIKeyHNWSEIOPNICFIJ-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-methoxybenzenesulfonyl chloride (CID 55279122) is 3-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-methoxybenzenesulfonyl chloride is COc1c(F)cccc1S(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is HNWSEIOPNICFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-12-7-5(9)3-2-4-6(7)13(8,10)11/h2-4H,1H3.
What are the key properties of 3-fluoro-2-methoxybenzenesulfonyl chloride?
3-fluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 224.64 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 55279122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).