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

C9H10ClFO3S — CID 84707706

IUPAC(5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(C)cc(F)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H10ClFO3S/c1-6-3-8(11)4-7(9(6)14-2)5-15(10,12)13/h3-4H,5H2,1-2H3
InChIKeyFJOFUKBWSSMCAF-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.21
Rot. Bonds3

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

(5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 84707706) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID84707706
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name(5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(C)cc(F)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H10ClFO3S/c1-6-3-8(11)4-7(9(6)14-2)5-15(10,12)13/h3-4H,5H2,1-2H3
InChIKeyFJOFUKBWSSMCAF-UHFFFAOYSA-N
XLogP2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride (CID 84707706) is (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride is COc1c(C)cc(F)cc1CS(=O)(=O)Cl.
What is the InChIKey of (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is FJOFUKBWSSMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-6-3-8(11)4-7(9(6)14-2)5-15(10,12)13/h3-4H,5H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
(5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 252.69 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84707706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).