5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride

C7H5Cl2FO4S — CID 84810597

IUPAC5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(O)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2FO4S/c1-14-6-3(8)2-4(11)5(10)7(6)15(9,12)13/h2,11H,1H3
InChIKeyFSGWFHCPUKXNEX-UHFFFAOYSA-N
MW275.08 g/mol
LogP2.12
Rot. Bonds2

About 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride

5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride (PubChem CID 84810597) has the molecular formula C7H5Cl2FO4S and a molecular weight of 275.08 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
PubChem CID84810597
Molecular FormulaC7H5Cl2FO4S
Molecular Weight275.08 g/mol
Exact Mass273.93
IUPAC Name5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(O)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2FO4S/c1-14-6-3(8)2-4(11)5(10)7(6)15(9,12)13/h2,11H,1H3
InChIKeyFSGWFHCPUKXNEX-UHFFFAOYSA-N
XLogP2.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84797746
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride
CID 84807137
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
3-chloro-2-methoxy-5-methylbenzenesulfonyl chloride
CID 84708493
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride (CID 84810597) is 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride is COc1c(Cl)cc(O)c(F)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride?
The InChIKey is FSGWFHCPUKXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO4S/c1-14-6-3(8)2-4(11)5(10)7(6)15(9,12)13/h2,11H,1H3.
What are the key properties of 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride?
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride has a molecular weight of 275.08 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84810597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).