(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride

C8H7ClF2O4S — CID 117434256

IUPAC(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(F)cc(F)c(O)c1CS(=O)(=O)Cl
InChIInChI=1S/C8H7ClF2O4S/c1-15-8-4(3-16(9,13)14)7(12)5(10)2-6(8)11/h2,12H,3H2,1H3
InChIKeyCKXBREKTMLQWHL-UHFFFAOYSA-N
MW272.66 g/mol
LogP1.75
Rot. Bonds3

About (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride

(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117434256) has the molecular formula C8H7ClF2O4S and a molecular weight of 272.66 g/mol. Its IUPAC name is (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
PubChem CID117434256
Molecular FormulaC8H7ClF2O4S
Molecular Weight272.66 g/mol
Exact Mass271.97
IUPAC Name(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(F)cc(F)c(O)c1CS(=O)(=O)Cl
InChIInChI=1S/C8H7ClF2O4S/c1-15-8-4(3-16(9,13)14)7(12)5(10)2-6(8)11/h2,12H,3H2,1H3
InChIKeyCKXBREKTMLQWHL-UHFFFAOYSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
CID 117306260
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride (CID 117434256) is (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride is COc1c(F)cc(F)c(O)c1CS(=O)(=O)Cl.
What is the InChIKey of (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is CKXBREKTMLQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O4S/c1-15-8-4(3-16(9,13)14)7(12)5(10)2-6(8)11/h2,12H,3H2,1H3.
What are the key properties of (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride?
(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 272.66 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117434256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).