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

C9H9Cl2FO3S — CID 84813942

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

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

(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 84813942) has the molecular formula C9H9Cl2FO3S and a molecular weight of 287.14 g/mol. Its IUPAC name is (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID84813942
Molecular FormulaC9H9Cl2FO3S
Molecular Weight287.14 g/mol
Exact Mass285.96
IUPAC Name(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(Cl)cc(C)c(F)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H9Cl2FO3S/c1-5-3-7(10)9(15-2)6(8(5)12)4-16(11,13)14/h3H,4H2,1-2H3
InChIKeyQTJWNHMGQHHSKA-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

N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005
3-(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)propanenitrile
CID 84791711
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
CID 117434256
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84810597
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride (CID 84813942) is (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride is COc1c(Cl)cc(C)c(F)c1CS(=O)(=O)Cl.
What is the InChIKey of (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is QTJWNHMGQHHSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO3S/c1-5-3-7(10)9(15-2)6(8(5)12)4-16(11,13)14/h3H,4H2,1-2H3.
What are the key properties of (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride?
(5-chloro-2-fluoro-6-methoxy-3-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 (5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84813942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).