1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride

C7H10ClFN2O3S — CID 122170361

IUPAC1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(CCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClFN2O3S/c1-14-5-6-7(15(8,12)13)4-11(10-6)3-2-9/h4H,2-3,5H2,1H3
InChIKeyUGQWUFHDDSINEH-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.93
Rot. Bonds5

About 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride

1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170361) has the molecular formula C7H10ClFN2O3S and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122170361
Molecular FormulaC7H10ClFN2O3S
Molecular Weight256.69 g/mol
Exact Mass256.01
IUPAC Name1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(CCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClFN2O3S/c1-14-5-6-7(15(8,12)13)4-11(10-6)3-2-9/h4H,2-3,5H2,1H3
InChIKeyUGQWUFHDDSINEH-UHFFFAOYSA-N
XLogP0.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (CID 122170361) is 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is COCc1nn(CCF)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is UGQWUFHDDSINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2O3S/c1-14-5-6-7(15(8,12)13)4-11(10-6)3-2-9/h4H,2-3,5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 256.69 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).