2-oxo-1,3-oxazolidine-3-sulfonyl fluoride

C3H4FNO4S — CID 130225489

IUPAC2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
SMILESO=C1OCCN1S(=O)(=O)F
InChIInChI=1S/C3H4FNO4S/c4-10(7,8)5-1-2-9-3(5)6/h1-2H2
InChIKeyMVTQSZIFYRCMJN-UHFFFAOYSA-N
MW169.13 g/mol
LogP-0.35
Rot. Bonds1

About 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride

2-oxo-1,3-oxazolidine-3-sulfonyl fluoride (PubChem CID 130225489) has the molecular formula C3H4FNO4S and a molecular weight of 169.13 g/mol. Its IUPAC name is 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
PubChem CID130225489
Molecular FormulaC3H4FNO4S
Molecular Weight169.13 g/mol
Exact Mass168.98
IUPAC Name2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
SMILESO=C1OCCN1S(=O)(=O)F
InChIInChI=1S/C3H4FNO4S/c4-10(7,8)5-1-2-9-3(5)6/h1-2H2
InChIKeyMVTQSZIFYRCMJN-UHFFFAOYSA-N
XLogP-0.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride?
The IUPAC name of 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride (CID 130225489) is 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride.
What is the SMILES notation for 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride?
The canonical SMILES for 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride is O=C1OCCN1S(=O)(=O)F.
What is the InChIKey of 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride?
The InChIKey is MVTQSZIFYRCMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FNO4S/c4-10(7,8)5-1-2-9-3(5)6/h1-2H2.
What are the key properties of 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride?
2-oxo-1,3-oxazolidine-3-sulfonyl fluoride has a molecular weight of 169.13 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-oxazolidine-3-sulfonyl fluoride is sourced from PubChem (CID 130225489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).