5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride

C8H7Cl2FO3S — CID 84809937

IUPAC5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(C)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-3-5(9)7(14-2)8(6(4)11)15(10,12)13/h3H,1-2H3
InChIKeyCGTOYFCYIFNHKE-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.72
Rot. Bonds2

About 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride

5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride (PubChem CID 84809937) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
PubChem CID84809937
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(C)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-3-5(9)7(14-2)8(6(4)11)15(10,12)13/h3H,1-2H3
InChIKeyCGTOYFCYIFNHKE-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride
CID 82160163
2-[2-Chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 54025118
3-Chloro-4-fluoro-2-methoxybenzenesulfonyl chloride
CID 84709632
3-Chloro-2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 146600916
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride
CID 84709630
3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride
CID 84709640
3-Chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride
CID 84713463
3-Chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
CID 84713464
(3-Chloro-2-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84713470
(3-Chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84713471
(3-Chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 84713474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride (CID 84809937) is 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride is COc1c(Cl)cc(C)c(F)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride?
The InChIKey is CGTOYFCYIFNHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-4-3-5(9)7(14-2)8(6(4)11)15(10,12)13/h3H,1-2H3.
What are the key properties of 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride?
5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84809937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).