4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride

C7H10FN3O3S — CID 165463009

IUPAC4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(C2COC2)nnc1S(=O)(=O)F
InChIInChI=1S/C7H10FN3O3S/c1-2-11-6(5-3-14-4-5)9-10-7(11)15(8,12)13/h5H,2-4H2,1H3
InChIKeyXDKGISTZYTYGOS-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.07
Rot. Bonds3

About 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride

4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165463009) has the molecular formula C7H10FN3O3S and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165463009
Molecular FormulaC7H10FN3O3S
Molecular Weight235.24 g/mol
Exact Mass235.04
IUPAC Name4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(C2COC2)nnc1S(=O)(=O)F
InChIInChI=1S/C7H10FN3O3S/c1-2-11-6(5-3-14-4-5)9-10-7(11)15(8,12)13/h5H,2-4H2,1H3
InChIKeyXDKGISTZYTYGOS-UHFFFAOYSA-N
XLogP0.07
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213791
5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 103213802
4-Propyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213805
5-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 103213808
4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213809
5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213812
4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213813
5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 103213828
4-Ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213830
4-Propyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213833
5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
CID 103213843
4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213845

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165463009) is 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride is CCn1c(C2COC2)nnc1S(=O)(=O)F.
What is the InChIKey of 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is XDKGISTZYTYGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O3S/c1-2-11-6(5-3-14-4-5)9-10-7(11)15(8,12)13/h5H,2-4H2,1H3.
What are the key properties of 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 235.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165463009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).