6-fluoro-2,3-dimethoxybenzenesulfonyl chloride

C8H8ClFO4S — CID 84708314

IUPAC6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
SMILESCOc1ccc(F)c(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C8H8ClFO4S/c1-13-6-4-3-5(10)8(7(6)14-2)15(9,11)12/h3-4H,1-2H3
InChIKeyVDLDVCVWWUEWPF-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.77
Rot. Bonds3

About 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride

6-fluoro-2,3-dimethoxybenzenesulfonyl chloride (PubChem CID 84708314) has the molecular formula C8H8ClFO4S and a molecular weight of 254.67 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
PubChem CID84708314
Molecular FormulaC8H8ClFO4S
Molecular Weight254.67 g/mol
Exact Mass253.98
IUPAC Name6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
SMILESCOc1ccc(F)c(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C8H8ClFO4S/c1-13-6-4-3-5(10)8(7(6)14-2)15(9,11)12/h3-4H,1-2H3
InChIKeyVDLDVCVWWUEWPF-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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Related Compounds

6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
CID 138987464
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
CID 55279109
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
2,4-difluoro-3-methoxybenzenesulfonyl chloride
CID 84703410
3-fluoro-5-methoxypyridine-4-sulfonyl chloride
CID 55280692
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
CID 130954694
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
3,4-dimethoxypyridine-2-sulfonyl chloride
CID 141469217
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride (CID 84708314) is 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride is COc1ccc(F)c(S(=O)(=O)Cl)c1OC.
What is the InChIKey of 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride?
The InChIKey is VDLDVCVWWUEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO4S/c1-13-6-4-3-5(10)8(7(6)14-2)15(9,11)12/h3-4H,1-2H3.
What are the key properties of 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride?
6-fluoro-2,3-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 6-fluoro-2,3-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 84708314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).