2,6-difluoro-4-methoxybenzenesulfonyl chloride

C7H5ClF2O3S — CID 54592549

IUPAC2,6-difluoro-4-methoxybenzenesulfonyl chloride
SMILESCOc1cc(F)c(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C7H5ClF2O3S/c1-13-4-2-5(9)7(6(10)3-4)14(8,11)12/h2-3H,1H3
InChIKeyQFJQSXRCOGYTQB-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.90
Rot. Bonds2

About 2,6-difluoro-4-methoxybenzenesulfonyl chloride

2,6-difluoro-4-methoxybenzenesulfonyl chloride (PubChem CID 54592549) has the molecular formula C7H5ClF2O3S and a molecular weight of 242.63 g/mol. Its IUPAC name is 2,6-difluoro-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-difluoro-4-methoxybenzenesulfonyl chloride
PubChem CID54592549
Molecular FormulaC7H5ClF2O3S
Molecular Weight242.63 g/mol
Exact Mass241.96
IUPAC Name2,6-difluoro-4-methoxybenzenesulfonyl chloride
SMILESCOc1cc(F)c(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C7H5ClF2O3S/c1-13-4-2-5(9)7(6(10)3-4)14(8,11)12/h2-3H,1H3
InChIKeyQFJQSXRCOGYTQB-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,6-difluorobenzenesulfonyl chloride
CID 50998405
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596
4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride
CID 139490925
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 166188133
1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711499
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
3-fluoro-5-methoxypyridine-4-sulfonyl chloride
CID 55280692
2-amino-3-fluoro-5-methoxybenzenesulfonamide
CID 18007473
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane
CID 59505386

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 2,6-difluoro-4-methoxybenzenesulfonyl chloride (CID 54592549) is 2,6-difluoro-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,6-difluoro-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2,6-difluoro-4-methoxybenzenesulfonyl chloride is COc1cc(F)c(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-methoxybenzenesulfonyl chloride?
The InChIKey is QFJQSXRCOGYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S/c1-13-4-2-5(9)7(6(10)3-4)14(8,11)12/h2-3H,1H3.
What are the key properties of 2,6-difluoro-4-methoxybenzenesulfonyl chloride?
2,6-difluoro-4-methoxybenzenesulfonyl chloride has a molecular weight of 242.63 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 54592549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).