2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride

C10H12ClFO3S — CID 84711714

IUPAC2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride
SMILESCOc1c(CCS(=O)(=O)Cl)ccc(F)c1C
InChIInChI=1S/C10H12ClFO3S/c1-7-9(12)4-3-8(10(7)15-2)5-6-16(11,13)14/h3-4H,5-6H2,1-2H3
InChIKeyBWYGCCMUSTUFFN-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride

2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride (PubChem CID 84711714) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride
PubChem CID84711714
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride
SMILESCOc1c(CCS(=O)(=O)Cl)ccc(F)c1C
InChIInChI=1S/C10H12ClFO3S/c1-7-9(12)4-3-8(10(7)15-2)5-6-16(11,13)14/h3-4H,5-6H2,1-2H3
InChIKeyBWYGCCMUSTUFFN-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride (CID 84711714) is 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride is COc1c(CCS(=O)(=O)Cl)ccc(F)c1C.
What is the InChIKey of 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride?
The InChIKey is BWYGCCMUSTUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-7-9(12)4-3-8(10(7)15-2)5-6-16(11,13)14/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride?
2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxy-3-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84711714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).