(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride

C9H9Cl2FO3S — CID 117462844

IUPAC(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(C)cc(F)c(Cl)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H9Cl2FO3S/c1-5-3-7(12)8(10)6(9(5)15-2)4-16(11,13)14/h3H,4H2,1-2H3
InChIKeyTWBCIVGSVQABPP-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.86
Rot. Bonds3

About (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride

(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride (PubChem CID 117462844) has the molecular formula C9H9Cl2FO3S and a molecular weight of 287.14 g/mol. Its IUPAC name is (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride
PubChem CID117462844
Molecular FormulaC9H9Cl2FO3S
Molecular Weight287.14 g/mol
Exact Mass285.96
IUPAC Name(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(C)cc(F)c(Cl)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H9Cl2FO3S/c1-5-3-7(12)8(10)6(9(5)15-2)4-16(11,13)14/h3H,4H2,1-2H3
InChIKeyTWBCIVGSVQABPP-UHFFFAOYSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-Chloro-2-methoxyphenyl)cyclohexen-1-yl] trifluoromethanesulfonate
CID 87879239
7-Chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene
CID 131984149
(4-Chloro-3-fluoro-2-methoxyphenyl)methyl methanesulfonate
CID 171823283
Methyl 2-methoxy-(p-chlorostyryl)sulfonate
CID 129765479
(5-Fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84707706
(3-Fluoro-4-methoxy-5-methylphenyl)methanesulfonyl chloride
CID 84707707
(4-Fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84707711
(3-Fluoro-2-methoxy-5-methylphenyl)methanesulfonyl chloride
CID 84707713
(5-Ethyl-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 84711708
2-(3-Fluoro-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711709
2-(5-Fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride
CID 84711711
2-(4-Fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride
CID 84711714

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride (CID 117462844) is (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride is COc1c(C)cc(F)c(Cl)c1CS(=O)(=O)Cl.
What is the InChIKey of (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride?
The InChIKey is TWBCIVGSVQABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO3S/c1-5-3-7(12)8(10)6(9(5)15-2)4-16(11,13)14/h3H,4H2,1-2H3.
What are the key properties of (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride?
(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride has a molecular weight of 287.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117462844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).