3-ethyl-4-methoxybenzenesulfonyl fluoride

C9H11FO3S — CID 82285377

IUPAC3-ethyl-4-methoxybenzenesulfonyl fluoride
SMILESCCc1cc(S(=O)(=O)F)ccc1OC
InChIInChI=1S/C9H11FO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3
InChIKeyCKCPCDCHSIJPKM-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.92
Rot. Bonds3

About 3-ethyl-4-methoxybenzenesulfonyl fluoride

3-ethyl-4-methoxybenzenesulfonyl fluoride (PubChem CID 82285377) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-ethyl-4-methoxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-ethyl-4-methoxybenzenesulfonyl fluoride
PubChem CID82285377
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name3-ethyl-4-methoxybenzenesulfonyl fluoride
SMILESCCc1cc(S(=O)(=O)F)ccc1OC
InChIInChI=1S/C9H11FO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3
InChIKeyCKCPCDCHSIJPKM-UHFFFAOYSA-N
XLogP1.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxybenzenesulfonyl fluoride?
The IUPAC name of 3-ethyl-4-methoxybenzenesulfonyl fluoride (CID 82285377) is 3-ethyl-4-methoxybenzenesulfonyl fluoride.
What is the SMILES notation for 3-ethyl-4-methoxybenzenesulfonyl fluoride?
The canonical SMILES for 3-ethyl-4-methoxybenzenesulfonyl fluoride is CCc1cc(S(=O)(=O)F)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxybenzenesulfonyl fluoride?
The InChIKey is CKCPCDCHSIJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methoxybenzenesulfonyl fluoride?
3-ethyl-4-methoxybenzenesulfonyl fluoride has a molecular weight of 218.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxybenzenesulfonyl fluoride is sourced from PubChem (CID 82285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).