5-chloro-1-methylimidazole-4-sulfonyl fluoride

C4H4ClFN2O2S — CID 122236063

IUPAC5-chloro-1-methylimidazole-4-sulfonyl fluoride
SMILESCn1cnc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C4H4ClFN2O2S/c1-8-2-7-4(3(8)5)11(6,9)10/h2H,1H3
InChIKeyIGVFILYQWXDQDK-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.73
Rot. Bonds1

About 5-chloro-1-methylimidazole-4-sulfonyl fluoride

5-chloro-1-methylimidazole-4-sulfonyl fluoride (PubChem CID 122236063) has the molecular formula C4H4ClFN2O2S and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-chloro-1-methylimidazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-1-methylimidazole-4-sulfonyl fluoride
PubChem CID122236063
Molecular FormulaC4H4ClFN2O2S
Molecular Weight198.61 g/mol
Exact Mass197.97
IUPAC Name5-chloro-1-methylimidazole-4-sulfonyl fluoride
SMILESCn1cnc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C4H4ClFN2O2S/c1-8-2-7-4(3(8)5)11(6,9)10/h2H,1H3
InChIKeyIGVFILYQWXDQDK-UHFFFAOYSA-N
XLogP0.73
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylimidazole-4-sulfonyl fluoride?
The IUPAC name of 5-chloro-1-methylimidazole-4-sulfonyl fluoride (CID 122236063) is 5-chloro-1-methylimidazole-4-sulfonyl fluoride.
What is the SMILES notation for 5-chloro-1-methylimidazole-4-sulfonyl fluoride?
The canonical SMILES for 5-chloro-1-methylimidazole-4-sulfonyl fluoride is Cn1cnc(S(=O)(=O)F)c1Cl.
What is the InChIKey of 5-chloro-1-methylimidazole-4-sulfonyl fluoride?
The InChIKey is IGVFILYQWXDQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN2O2S/c1-8-2-7-4(3(8)5)11(6,9)10/h2H,1H3.
What are the key properties of 5-chloro-1-methylimidazole-4-sulfonyl fluoride?
5-chloro-1-methylimidazole-4-sulfonyl fluoride has a molecular weight of 198.61 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylimidazole-4-sulfonyl fluoride is sourced from PubChem (CID 122236063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).