4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride

C7H8ClF3N2O2S — CID 164872091

IUPAC4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride
SMILESCCc1cn(CC(F)(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H8ClF3N2O2S/c1-2-5-3-13(4-7(9,10)11)12-6(5)16(8,14)15/h3H,2,4H2,1H3
InChIKeyUHWIHJYSVNRXJM-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.94
Rot. Bonds3

About 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride

4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride (PubChem CID 164872091) has the molecular formula C7H8ClF3N2O2S and a molecular weight of 276.67 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride
PubChem CID164872091
Molecular FormulaC7H8ClF3N2O2S
Molecular Weight276.67 g/mol
Exact Mass275.99
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride
SMILESCCc1cn(CC(F)(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H8ClF3N2O2S/c1-2-5-3-13(4-7(9,10)11)12-6(5)16(8,14)15/h3H,2,4H2,1H3
InChIKeyUHWIHJYSVNRXJM-UHFFFAOYSA-N
XLogP1.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride (CID 164872091) is 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride is CCc1cn(CC(F)(F)F)nc1S(=O)(=O)Cl.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride?
The InChIKey is UHWIHJYSVNRXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O2S/c1-2-5-3-13(4-7(9,10)11)12-6(5)16(8,14)15/h3H,2,4H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride?
4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride has a molecular weight of 276.67 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 164872091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).