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

C8H12FN3O4S — CID 165476839

IUPAC4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCCn1c(C2COC2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H12FN3O4S/c1-15-3-2-12-7(6-4-16-5-6)10-11-8(12)17(9,13)14/h6H,2-5H2,1H3
InChIKeyPJAMLTZGZKJGFI-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.30
Rot. Bonds5

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

4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165476839) has the molecular formula C8H12FN3O4S and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165476839
Molecular FormulaC8H12FN3O4S
Molecular Weight265.27 g/mol
Exact Mass265.05
IUPAC Name4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCCn1c(C2COC2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H12FN3O4S/c1-15-3-2-12-7(6-4-16-5-6)10-11-8(12)17(9,13)14/h6H,2-5H2,1H3
InChIKeyPJAMLTZGZKJGFI-UHFFFAOYSA-N
XLogP-0.30
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213787
4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213788
4-(2-Methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213811
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-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 103213815
4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213816
4-(2-Methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonamide
CID 103213844
4-(2-Methoxyethyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018420
4-(2-Methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018433
4-(2-Methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
CID 154578269
5-ethyl-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462956

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165476839) is 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride is COCCn1c(C2COC2)nnc1S(=O)(=O)F.
What is the InChIKey of 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is PJAMLTZGZKJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O4S/c1-15-3-2-12-7(6-4-16-5-6)10-11-8(12)17(9,13)14/h6H,2-5H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride?
4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 265.27 g/mol, XLogP of -0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-(oxetan-3-yl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165476839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).