2-(benzimidazol-1-yl)ethanesulfonyl fluoride

C9H9FN2O2S — CID 4107358

IUPAC2-(benzimidazol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1cnc2ccccc21
InChIInChI=1S/C9H9FN2O2S/c10-15(13,14)6-5-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2
InChIKeyLGBKWJVQGOBPHS-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.34
Rot. Bonds3

About 2-(benzimidazol-1-yl)ethanesulfonyl fluoride

2-(benzimidazol-1-yl)ethanesulfonyl fluoride (PubChem CID 4107358) has the molecular formula C9H9FN2O2S and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)ethanesulfonyl fluoride
PubChem CID4107358
Molecular FormulaC9H9FN2O2S
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Name2-(benzimidazol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1cnc2ccccc21
InChIInChI=1S/C9H9FN2O2S/c10-15(13,14)6-5-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2
InChIKeyLGBKWJVQGOBPHS-UHFFFAOYSA-N
XLogP1.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
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1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
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2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
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N-[3-(benzimidazol-1-yl)propyl]-1-bromomethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(benzimidazol-1-yl)ethanesulfonyl fluoride (CID 4107358) is 2-(benzimidazol-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(benzimidazol-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(benzimidazol-1-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)ethanesulfonyl fluoride?
The InChIKey is LGBKWJVQGOBPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2S/c10-15(13,14)6-5-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2.
What are the key properties of 2-(benzimidazol-1-yl)ethanesulfonyl fluoride?
2-(benzimidazol-1-yl)ethanesulfonyl fluoride has a molecular weight of 228.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 4107358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).