3-methoxythiophene-2-sulfonyl fluoride

C5H5FO3S2 — CID 122235977

IUPAC3-methoxythiophene-2-sulfonyl fluoride
SMILESCOc1ccsc1S(=O)(=O)F
InChIInChI=1S/C5H5FO3S2/c1-9-4-2-3-10-5(4)11(6,7)8/h2-3H,1H3
InChIKeyWWNRZRFRMCUVPF-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.41
Rot. Bonds2

About 3-methoxythiophene-2-sulfonyl fluoride

3-methoxythiophene-2-sulfonyl fluoride (PubChem CID 122235977) has the molecular formula C5H5FO3S2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-methoxythiophene-2-sulfonyl fluoride.

Molecular Properties

Compound Name3-methoxythiophene-2-sulfonyl fluoride
PubChem CID122235977
Molecular FormulaC5H5FO3S2
Molecular Weight196.22 g/mol
Exact Mass195.97
IUPAC Name3-methoxythiophene-2-sulfonyl fluoride
SMILESCOc1ccsc1S(=O)(=O)F
InChIInChI=1S/C5H5FO3S2/c1-9-4-2-3-10-5(4)11(6,7)8/h2-3H,1H3
InChIKeyWWNRZRFRMCUVPF-UHFFFAOYSA-N
XLogP1.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythiophene-2-sulfonyl fluoride?
The IUPAC name of 3-methoxythiophene-2-sulfonyl fluoride (CID 122235977) is 3-methoxythiophene-2-sulfonyl fluoride.
What is the SMILES notation for 3-methoxythiophene-2-sulfonyl fluoride?
The canonical SMILES for 3-methoxythiophene-2-sulfonyl fluoride is COc1ccsc1S(=O)(=O)F.
What is the InChIKey of 3-methoxythiophene-2-sulfonyl fluoride?
The InChIKey is WWNRZRFRMCUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO3S2/c1-9-4-2-3-10-5(4)11(6,7)8/h2-3H,1H3.
What are the key properties of 3-methoxythiophene-2-sulfonyl fluoride?
3-methoxythiophene-2-sulfonyl fluoride has a molecular weight of 196.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythiophene-2-sulfonyl fluoride is sourced from PubChem (CID 122235977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).