1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide

C6H8F3N3O2S — CID 81340266

IUPAC1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CCC(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3O2S/c7-6(8,9)1-2-12-3-5(11-4-12)15(10,13)14/h3-4H,1-2H2,(H2,10,13,14)
InChIKeyLXLZCGJILXHBFC-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.48
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide

1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide (PubChem CID 81340266) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
PubChem CID81340266
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC Name1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CCC(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3O2S/c7-6(8,9)1-2-12-3-5(11-4-12)15(10,13)14/h3-4H,1-2H2,(H2,10,13,14)
InChIKeyLXLZCGJILXHBFC-UHFFFAOYSA-N
XLogP0.48
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide (CID 81340266) is 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide is NS(=O)(=O)c1cn(CCC(F)(F)F)cn1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The InChIKey is LXLZCGJILXHBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c7-6(8,9)1-2-12-3-5(11-4-12)15(10,13)14/h3-4H,1-2H2,(H2,10,13,14).
What are the key properties of 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81340266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).