5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride

C6H8ClFN2O3S — CID 171315896

IUPAC5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
SMILESCOCCn1ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H8ClFN2O3S/c1-13-3-2-10-6(8)5(4-9-10)14(7,11)12/h4H,2-3H2,1H3
InChIKeyGLAWCAIHLGETER-UHFFFAOYSA-N
MW242.66 g/mol
LogP0.60
Rot. Bonds4

About 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride

5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride (PubChem CID 171315896) has the molecular formula C6H8ClFN2O3S and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
PubChem CID171315896
Molecular FormulaC6H8ClFN2O3S
Molecular Weight242.66 g/mol
Exact Mass241.99
IUPAC Name5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
SMILESCOCCn1ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H8ClFN2O3S/c1-13-3-2-10-6(8)5(4-9-10)14(7,11)12/h4H,2-3H2,1H3
InChIKeyGLAWCAIHLGETER-UHFFFAOYSA-N
XLogP0.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride (CID 171315896) is 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride is COCCn1ncc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is GLAWCAIHLGETER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2O3S/c1-13-3-2-10-6(8)5(4-9-10)14(7,11)12/h4H,2-3H2,1H3.
What are the key properties of 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 242.66 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 171315896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).