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

C6H5ClFNO3S — CID 131431662

IUPAC4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1onc(C2CC2)c1Cl
InChIInChI=1S/C6H5ClFNO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2
InChIKeyDZZQOGHNUFBSPX-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.86
Rot. Bonds2

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

4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride (PubChem CID 131431662) has the molecular formula C6H5ClFNO3S and a molecular weight of 225.63 g/mol. Its IUPAC name is 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride
PubChem CID131431662
Molecular FormulaC6H5ClFNO3S
Molecular Weight225.63 g/mol
Exact Mass224.97
IUPAC Name4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1onc(C2CC2)c1Cl
InChIInChI=1S/C6H5ClFNO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2
InChIKeyDZZQOGHNUFBSPX-UHFFFAOYSA-N
XLogP1.86
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride?
The IUPAC name of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride (CID 131431662) is 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride?
The canonical SMILES for 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride is O=S(=O)(F)c1onc(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride?
The InChIKey is DZZQOGHNUFBSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2.
What are the key properties of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride?
4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride has a molecular weight of 225.63 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl fluoride is sourced from PubChem (CID 131431662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).