2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole

C6H8FN3O5S2 — CID 170202945

IUPAC2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole
SMILESC=Cc1ncc(S(=O)(=O)N(C)OS(=O)(=O)F)[nH]1
InChIInChI=1S/C6H8FN3O5S2/c1-3-5-8-4-6(9-5)16(11,12)10(2)15-17(7,13)14/h3-4H,1H2,2H3,(H,8,9)
InChIKeyQJVFYAQHUFXCED-UHFFFAOYSA-N
MW285.28 g/mol
LogP-0.18
Rot. Bonds5

About 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole

2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole (PubChem CID 170202945) has the molecular formula C6H8FN3O5S2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole.

Molecular Properties

Compound Name2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole
PubChem CID170202945
Molecular FormulaC6H8FN3O5S2
Molecular Weight285.28 g/mol
Exact Mass284.99
IUPAC Name2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole
SMILESC=Cc1ncc(S(=O)(=O)N(C)OS(=O)(=O)F)[nH]1
InChIInChI=1S/C6H8FN3O5S2/c1-3-5-8-4-6(9-5)16(11,12)10(2)15-17(7,13)14/h3-4H,1H2,2H3,(H,8,9)
InChIKeyQJVFYAQHUFXCED-UHFFFAOYSA-N
XLogP-0.18
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole?
The IUPAC name of 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole (CID 170202945) is 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole.
What is the SMILES notation for 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole?
The canonical SMILES for 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole is C=Cc1ncc(S(=O)(=O)N(C)OS(=O)(=O)F)[nH]1.
What is the InChIKey of 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole?
The InChIKey is QJVFYAQHUFXCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O5S2/c1-3-5-8-4-6(9-5)16(11,12)10(2)15-17(7,13)14/h3-4H,1H2,2H3,(H,8,9).
What are the key properties of 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole?
2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole has a molecular weight of 285.28 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole is sourced from PubChem (CID 170202945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).