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

C7H12FN3O3S — CID 165462956

IUPAC5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCc1nnc(S(=O)(=O)F)n1CCOC
InChIInChI=1S/C7H12FN3O3S/c1-3-6-9-10-7(15(8,12)13)11(6)4-5-14-2/h3-5H2,1-2H3
InChIKeyRKEUYGVUBJYZQD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.15
Rot. Bonds5

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

5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165462956) has the molecular formula C7H12FN3O3S and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165462956
Molecular FormulaC7H12FN3O3S
Molecular Weight237.26 g/mol
Exact Mass237.06
IUPAC Name5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCc1nnc(S(=O)(=O)F)n1CCOC
InChIInChI=1S/C7H12FN3O3S/c1-3-6-9-10-7(15(8,12)13)11(6)4-5-14-2/h3-5H2,1-2H3
InChIKeyRKEUYGVUBJYZQD-UHFFFAOYSA-N
XLogP0.15
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazole-3-sulfonamide
CID 104020492
4-(2-Methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213786
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-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213790
4-Propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213791
4-Ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213801
5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 103213802
4-Propyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213804
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride (CID 165462956) is 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride is CCc1nnc(S(=O)(=O)F)n1CCOC.
What is the InChIKey of 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is RKEUYGVUBJYZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O3S/c1-3-6-9-10-7(15(8,12)13)11(6)4-5-14-2/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride?
5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 237.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165462956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).