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

C8H7Cl2FO3S — CID 84713463

IUPAC3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-6(11)3-5(9)7(14-2)8(4)15(10,12)13/h3H,1-2H3
InChIKeyVSNCQMVWSJWAQV-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.72
Rot. Bonds2

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

3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride (PubChem CID 84713463) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride
PubChem CID84713463
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride
SMILESCOc1c(Cl)cc(F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-6(11)3-5(9)7(14-2)8(4)15(10,12)13/h3H,1-2H3
InChIKeyVSNCQMVWSJWAQV-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

3-Chloro-4-fluoro-2-methoxybenzenesulfonyl chloride
CID 84709632
(2-Chloro-6-fluoro-3-methoxyphenyl)methanesulfonyl chloride
CID 84809931
3-Chloro-2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 146600916
5-Chloro-4-methoxy-2-methylbenzene-1-sulfonyl fluoride
CID 82292286
5-Chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride
CID 82298293
3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride
CID 84709630
3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride
CID 84709640
5-Chloro-3-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride
CID 84713465
(4-Chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
(2-Chloro-5-fluoro-3-methoxyphenyl)methanesulfonyl chloride
CID 84713475
(4-Chloro-2-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84809930
5-Chloro-2-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
CID 84809937

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride (CID 84713463) is 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride is COc1c(Cl)cc(F)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride?
The InChIKey is VSNCQMVWSJWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-4-6(11)3-5(9)7(14-2)8(4)15(10,12)13/h3H,1-2H3.
What are the key properties of 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride?
3-chloro-5-fluoro-2-methoxy-6-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 3-chloro-5-fluoro-2-methoxy-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84713463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).