2-fluoro-4,5-dimethoxybenzenesulfonyl chloride

C8H8ClFO4S — CID 16785004

IUPAC2-fluoro-4,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(F)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C8H8ClFO4S/c1-13-6-3-5(10)8(15(9,11)12)4-7(6)14-2/h3-4H,1-2H3
InChIKeyMTCNVXSVITXLCE-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.77
Rot. Bonds3

About 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride

2-fluoro-4,5-dimethoxybenzenesulfonyl chloride (PubChem CID 16785004) has the molecular formula C8H8ClFO4S and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxybenzenesulfonyl chloride
PubChem CID16785004
Molecular FormulaC8H8ClFO4S
Molecular Weight254.67 g/mol
Exact Mass253.98
IUPAC Name2-fluoro-4,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(F)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C8H8ClFO4S/c1-13-6-3-5(10)8(15(9,11)12)4-7(6)14-2/h3-4H,1-2H3
InChIKeyMTCNVXSVITXLCE-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride (CID 16785004) is 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride is COc1cc(F)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride?
The InChIKey is MTCNVXSVITXLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO4S/c1-13-6-3-5(10)8(15(9,11)12)4-7(6)14-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride?
2-fluoro-4,5-dimethoxybenzenesulfonyl chloride has a molecular weight of 254.67 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 16785004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).