2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride

C7H10ClFN2O2S — CID 80695121

IUPAC2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCF
InChIInChI=1S/C7H10ClFN2O2S/c1-2-6-10-7(14(8,12)13)5-11(6)4-3-9/h5H,2-4H2,1H3
InChIKeyXSJQYXDOMCEIBV-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.34
Rot. Bonds4

About 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride

2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride (PubChem CID 80695121) has the molecular formula C7H10ClFN2O2S and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
PubChem CID80695121
Molecular FormulaC7H10ClFN2O2S
Molecular Weight240.69 g/mol
Exact Mass240.01
IUPAC Name2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCF
InChIInChI=1S/C7H10ClFN2O2S/c1-2-6-10-7(14(8,12)13)5-11(6)4-3-9/h5H,2-4H2,1H3
InChIKeyXSJQYXDOMCEIBV-UHFFFAOYSA-N
XLogP1.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride (CID 80695121) is 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CCF.
What is the InChIKey of 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
The InChIKey is XSJQYXDOMCEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2O2S/c1-2-6-10-7(14(8,12)13)5-11(6)4-3-9/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride has a molecular weight of 240.69 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoroethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 80695121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).