2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride

C8H5ClFNO3S — CID 55279109

IUPAC2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(F)c(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C8H5ClFNO3S/c1-14-7-3-2-6(10)8(5(7)4-11)15(9,12)13/h2-3H,1H3
InChIKeyDYIYJPHEAAGWOW-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.63
Rot. Bonds2

About 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride

2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride (PubChem CID 55279109) has the molecular formula C8H5ClFNO3S and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
PubChem CID55279109
Molecular FormulaC8H5ClFNO3S
Molecular Weight249.65 g/mol
Exact Mass248.97
IUPAC Name2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(F)c(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C8H5ClFNO3S/c1-14-7-3-2-6(10)8(5(7)4-11)15(9,12)13/h2-3H,1H3
InChIKeyDYIYJPHEAAGWOW-UHFFFAOYSA-N
XLogP1.63
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride
CID 131521575
2-acetyl-3-fluoro-6-methoxybenzonitrile
CID 83410546
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436
6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
CID 138987464
2-fluoro-6-methoxy-3-sulfanylbenzonitrile
CID 171022670
3-(chloromethyl)-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
CID 131383512
methyl 3-cyano-2-fluoro-4-methoxybenzoate
CID 134647147
3-fluoro-5-methoxypyridine-4-sulfonyl chloride
CID 55280692
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
2-cyano-4-fluoro-3-hydroxybenzenesulfonyl chloride
CID 130934083
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596

Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride (CID 55279109) is 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride is COc1ccc(F)c(S(=O)(=O)Cl)c1C#N.
What is the InChIKey of 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride?
The InChIKey is DYIYJPHEAAGWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO3S/c1-14-7-3-2-6(10)8(5(7)4-11)15(9,12)13/h2-3H,1H3.
What are the key properties of 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride?
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride has a molecular weight of 249.65 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 55279109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).