1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide

C6H8F3N3O3S — CID 81341124

IUPAC1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3O3S/c7-6(8,9)15-2-1-12-3-5(11-4-12)16(10,13)14/h3-4H,1-2H2,(H2,10,13,14)
InChIKeyOOAWBEBLDBUWRL-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.07
Rot. Bonds4

About 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide

1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide (PubChem CID 81341124) has the molecular formula C6H8F3N3O3S and a molecular weight of 259.21 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
PubChem CID81341124
Molecular FormulaC6H8F3N3O3S
Molecular Weight259.21 g/mol
Exact Mass259.02
IUPAC Name1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3O3S/c7-6(8,9)15-2-1-12-3-5(11-4-12)16(10,13)14/h3-4H,1-2H2,(H2,10,13,14)
InChIKeyOOAWBEBLDBUWRL-UHFFFAOYSA-N
XLogP0.07
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide (CID 81341124) is 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide is NS(=O)(=O)c1cn(CCOC(F)(F)F)cn1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
The InChIKey is OOAWBEBLDBUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O3S/c7-6(8,9)15-2-1-12-3-5(11-4-12)16(10,13)14/h3-4H,1-2H2,(H2,10,13,14).
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide has a molecular weight of 259.21 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81341124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).