4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride

C5H5ClFNO3S — CID 165459964

IUPAC4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride
SMILESCCc1noc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C5H5ClFNO3S/c1-2-3-4(6)5(11-8-3)12(7,9)10/h2H2,1H3
InChIKeyWADXFLWOUNASSF-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.55
Rot. Bonds2

About 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride

4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride (PubChem CID 165459964) has the molecular formula C5H5ClFNO3S and a molecular weight of 213.62 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride
PubChem CID165459964
Molecular FormulaC5H5ClFNO3S
Molecular Weight213.62 g/mol
Exact Mass212.97
IUPAC Name4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride
SMILESCCc1noc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C5H5ClFNO3S/c1-2-3-4(6)5(11-8-3)12(7,9)10/h2H2,1H3
InChIKeyWADXFLWOUNASSF-UHFFFAOYSA-N
XLogP1.55
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride?
The IUPAC name of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride (CID 165459964) is 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride?
The canonical SMILES for 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride is CCc1noc(S(=O)(=O)F)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride?
The InChIKey is WADXFLWOUNASSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFNO3S/c1-2-3-4(6)5(11-8-3)12(7,9)10/h2H2,1H3.
What are the key properties of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride?
4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride has a molecular weight of 213.62 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl fluoride is sourced from PubChem (CID 165459964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).