2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C7H10F3N3O2S — CID 81342479

IUPAC2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3O2S/c1-2-5-12-6(16(11,14)15)3-13(5)4-7(8,9)10/h3H,2,4H2,1H3,(H2,11,14,15)
InChIKeyYHZUWNPPRPDTQC-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.66
Rot. Bonds3

About 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 81342479) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID81342479
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3O2S/c1-2-5-12-6(16(11,14)15)3-13(5)4-7(8,9)10/h3H,2,4H2,1H3,(H2,11,14,15)
InChIKeyYHZUWNPPRPDTQC-UHFFFAOYSA-N
XLogP0.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 81342479) is 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1CC(F)(F)F.
What is the InChIKey of 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is YHZUWNPPRPDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-2-5-12-6(16(11,14)15)3-13(5)4-7(8,9)10/h3H,2,4H2,1H3,(H2,11,14,15).
What are the key properties of 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 257.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81342479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).