1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide

C8H14FN3O2S — CID 81340197

IUPAC1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCF
InChIInChI=1S/C8H14FN3O2S/c1-6(2)8-11-7(15(10,13)14)5-12(8)4-3-9/h5-6H,3-4H2,1-2H3,(H2,10,13,14)
InChIKeyVNNOAEURYCGNLS-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.62
Rot. Bonds4

About 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide

1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340197) has the molecular formula C8H14FN3O2S and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340197
Molecular FormulaC8H14FN3O2S
Molecular Weight235.28 g/mol
Exact Mass235.08
IUPAC Name1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCF
InChIInChI=1S/C8H14FN3O2S/c1-6(2)8-11-7(15(10,13)14)5-12(8)4-3-9/h5-6H,3-4H2,1-2H3,(H2,10,13,14)
InChIKeyVNNOAEURYCGNLS-UHFFFAOYSA-N
XLogP0.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide (CID 81340197) is 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is VNNOAEURYCGNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O2S/c1-6(2)8-11-7(15(10,13)14)5-12(8)4-3-9/h5-6H,3-4H2,1-2H3,(H2,10,13,14).
What are the key properties of 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide?
1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 235.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).