2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride

C9H10ClFO3S — CID 164663867

IUPAC2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride
SMILESCOc1cccc(Cl)c1CCS(=O)(=O)F
InChIInChI=1S/C9H10ClFO3S/c1-14-9-4-2-3-8(10)7(9)5-6-15(11,12)13/h2-4H,5-6H2,1H3
InChIKeyQJPDLPOCKCCHCZ-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.19
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride

2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride (PubChem CID 164663867) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride
PubChem CID164663867
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride
SMILESCOc1cccc(Cl)c1CCS(=O)(=O)F
InChIInChI=1S/C9H10ClFO3S/c1-14-9-4-2-3-8(10)7(9)5-6-15(11,12)13/h2-4H,5-6H2,1H3
InChIKeyQJPDLPOCKCCHCZ-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-2-methylanisole
CID 76749
(4-methoxyphenyl) (E)-2-(2-chlorophenyl)ethenesulfonate
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2-chloro-4-fluoro-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 24755398
(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride
CID 155530930
1-Chloro-2-(chloromethyl)-3-methoxybenzene
CID 13058270
(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 47003152
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
1-Chloro-3-methoxy-2-(trifluoromethyl)benzene
CID 90926660
2-(2-Methoxyphenyl)ethane-1-sulfonyl chloride
CID 24257283
(5-Fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 83541916
(2-Methoxyphenyl)methanesulfonyl fluoride
CID 115023297
(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride
CID 164668938

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride (CID 164663867) is 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride is COc1cccc(Cl)c1CCS(=O)(=O)F.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride?
The InChIKey is QJPDLPOCKCCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-14-9-4-2-3-8(10)7(9)5-6-15(11,12)13/h2-4H,5-6H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride?
2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride has a molecular weight of 252.69 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)ethanesulfonyl fluoride is sourced from PubChem (CID 164663867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).