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

C10H12ClFO3S — CID 84711712

IUPAC2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
SMILESCOc1cc(C)cc(CCS(=O)(=O)Cl)c1F
InChIInChI=1S/C10H12ClFO3S/c1-7-5-8(3-4-16(11,13)14)10(12)9(6-7)15-2/h5-6H,3-4H2,1-2H3
InChIKeyJINZEVSYUNRYLG-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.25
Rot. Bonds4

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

2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride (PubChem CID 84711712) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
PubChem CID84711712
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
SMILESCOc1cc(C)cc(CCS(=O)(=O)Cl)c1F
InChIInChI=1S/C10H12ClFO3S/c1-7-5-8(3-4-16(11,13)14)10(12)9(6-7)15-2/h5-6H,3-4H2,1-2H3
InChIKeyJINZEVSYUNRYLG-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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Related Compounds

2-(2-methoxy-4-methylphenyl)ethanesulfonyl chloride
CID 83726090
2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
CID 84713994
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
CID 84808458
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84805414
2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
CID 84811476
2-(4-methoxy-2-methylsulfanylphenyl)ethanesulfonyl chloride
CID 84811999
2-fluoro-1-iodo-3-methoxy-5-methylbenzene
CID 67684213
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
CID 82482802

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride (CID 84711712) is 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride is COc1cc(C)cc(CCS(=O)(=O)Cl)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride?
The InChIKey is JINZEVSYUNRYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-7-5-8(3-4-16(11,13)14)10(12)9(6-7)15-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride?
2-(2-fluoro-3-methoxy-5-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-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84711712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).