5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride

C10H10ClFN4O3S — CID 104786819

IUPAC5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(-c2cncc(F)c2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClFN4O3S/c1-19-3-2-16-9(7-4-8(12)6-13-5-7)14-15-10(16)20(11,17)18/h4-6H,2-3H2,1H3
InChIKeyXXLAFUJFNMGIKA-UHFFFAOYSA-N
MW320.73 g/mol
LogP1.05
Rot. Bonds5

About 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride

5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 104786819) has the molecular formula C10H10ClFN4O3S and a molecular weight of 320.73 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID104786819
Molecular FormulaC10H10ClFN4O3S
Molecular Weight320.73 g/mol
Exact Mass320.01
IUPAC Name5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(-c2cncc(F)c2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClFN4O3S/c1-19-3-2-16-9(7-4-8(12)6-13-5-7)14-15-10(16)20(11,17)18/h4-6H,2-3H2,1H3
InChIKeyXXLAFUJFNMGIKA-UHFFFAOYSA-N
XLogP1.05
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107967425
4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 136813012
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 104643384
4-(2-methoxyethyl)-5-(propoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944163
4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366003
3-(chloromethyl)-5-(3-fluoro-5-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397448
[5-(3-bromo-5-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115396004
4-methyl-5-(3,4,5-trifluorophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366203
3-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 142354015
4-(2-methoxyethyl)-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonamide
CID 136742909
3-(bromomethyl)-5-(3-fluoro-5-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115398890
5-(3-fluoro-5-methylphenyl)-4-propyl-1,2,4-triazole-3-sulfonamide
CID 113396096

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride (CID 104786819) is 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride is COCCn1c(-c2cncc(F)c2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is XXLAFUJFNMGIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O3S/c1-19-3-2-16-9(7-4-8(12)6-13-5-7)14-15-10(16)20(11,17)18/h4-6H,2-3H2,1H3.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 320.73 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 104786819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).