2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride

C7H6ClFO4S — CID 84800596

IUPAC2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
SMILESCOc1cc(O)cc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO4S/c1-13-6-3-4(10)2-5(9)7(6)14(8,11)12/h2-3,10H,1H3
InChIKeyPAXWEBOJEXTDMF-UHFFFAOYSA-N
MW240.64 g/mol
LogP1.47
Rot. Bonds2

About 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride

2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride (PubChem CID 84800596) has the molecular formula C7H6ClFO4S and a molecular weight of 240.64 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
PubChem CID84800596
Molecular FormulaC7H6ClFO4S
Molecular Weight240.64 g/mol
Exact Mass239.97
IUPAC Name2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
SMILESCOc1cc(O)cc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO4S/c1-13-6-3-4(10)2-5(9)7(6)14(8,11)12/h2-3,10H,1H3
InChIKeyPAXWEBOJEXTDMF-UHFFFAOYSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
CID 84808458
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
3-fluoro-5-methoxypyridine-4-sulfonyl chloride
CID 55280692
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
2,4-dichloro-6-methoxybenzenesulfonyl chloride
CID 18981628
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84810597
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
CID 84783347
3-fluoro-4-methoxyphenol
CID 14661613
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
CID 55279109

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride (CID 84800596) is 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride is COc1cc(O)cc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride?
The InChIKey is PAXWEBOJEXTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO4S/c1-13-6-3-4(10)2-5(9)7(6)14(8,11)12/h2-3,10H,1H3.
What are the key properties of 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride?
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride has a molecular weight of 240.64 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84800596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).