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

C5H6ClFN2O2S — CID 80694960

IUPAC1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CCF)cn1
InChIInChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-9(2-1-7)4-8-5/h3-4H,1-2H2
InChIKeyPJDWYDMMKJORGO-UHFFFAOYSA-N
MW212.63 g/mol
LogP0.78
Rot. Bonds3

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

1-(2-fluoroethyl)imidazole-4-sulfonyl chloride (PubChem CID 80694960) has the molecular formula C5H6ClFN2O2S and a molecular weight of 212.63 g/mol. Its IUPAC name is 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
PubChem CID80694960
Molecular FormulaC5H6ClFN2O2S
Molecular Weight212.63 g/mol
Exact Mass211.98
IUPAC Name1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CCF)cn1
InChIInChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-9(2-1-7)4-8-5/h3-4H,1-2H2
InChIKeyPJDWYDMMKJORGO-UHFFFAOYSA-N
XLogP0.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-but-3-enylimidazole-4-sulfonyl chloride
CID 82913789
1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride
CID 82912245
1-prop-2-enylimidazole-4-sulfonyl chloride
CID 82911418
1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride
CID 82911209
1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride
CID 82911398
1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 103040669
1-[(4-chloro-3-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 107885615
1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride
CID 82911409
1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride
CID 82912457
1-(3-methylbutyl)imidazole-4-sulfonamide
CID 81339695
1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride
CID 82912678
1-(cyclopropylmethyl)imidazole-4-sulfonamide
CID 81340648

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride (CID 80694960) is 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn(CCF)cn1.
What is the InChIKey of 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
The InChIKey is PJDWYDMMKJORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-9(2-1-7)4-8-5/h3-4H,1-2H2.
What are the key properties of 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride?
1-(2-fluoroethyl)imidazole-4-sulfonyl chloride has a molecular weight of 212.63 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 80694960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).