3,4-dimethoxybenzenesulfonyl fluoride

C8H9FO4S — CID 15184248

IUPAC3,4-dimethoxybenzenesulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)cc1OC
InChIInChI=1S/C8H9FO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKeyLCEVVNNKUAEPJM-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.36
Rot. Bonds3

About 3,4-dimethoxybenzenesulfonyl fluoride

3,4-dimethoxybenzenesulfonyl fluoride (PubChem CID 15184248) has the molecular formula C8H9FO4S and a molecular weight of 220.22 g/mol. Its IUPAC name is 3,4-dimethoxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name3,4-dimethoxybenzenesulfonyl fluoride
PubChem CID15184248
Molecular FormulaC8H9FO4S
Molecular Weight220.22 g/mol
Exact Mass220.02
IUPAC Name3,4-dimethoxybenzenesulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)cc1OC
InChIInChI=1S/C8H9FO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKeyLCEVVNNKUAEPJM-UHFFFAOYSA-N
XLogP1.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzenesulfonyl fluoride?
The IUPAC name of 3,4-dimethoxybenzenesulfonyl fluoride (CID 15184248) is 3,4-dimethoxybenzenesulfonyl fluoride.
What is the SMILES notation for 3,4-dimethoxybenzenesulfonyl fluoride?
The canonical SMILES for 3,4-dimethoxybenzenesulfonyl fluoride is COc1ccc(S(=O)(=O)F)cc1OC.
What is the InChIKey of 3,4-dimethoxybenzenesulfonyl fluoride?
The InChIKey is LCEVVNNKUAEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3.
What are the key properties of 3,4-dimethoxybenzenesulfonyl fluoride?
3,4-dimethoxybenzenesulfonyl fluoride has a molecular weight of 220.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzenesulfonyl fluoride is sourced from PubChem (CID 15184248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).