2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide

C7H10F3N3O3S — CID 82715699

IUPAC2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NOCC(F)(F)F)[nH]1
InChIInChI=1S/C7H10F3N3O3S/c1-2-5-11-3-6(12-5)17(14,15)13-16-4-7(8,9)10/h3,13H,2,4H2,1H3,(H,11,12)
InChIKeyUPLQNPJJFMMCRR-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.74
Rot. Bonds5

About 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide

2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide (PubChem CID 82715699) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide
PubChem CID82715699
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC Name2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NOCC(F)(F)F)[nH]1
InChIInChI=1S/C7H10F3N3O3S/c1-2-5-11-3-6(12-5)17(14,15)13-16-4-7(8,9)10/h3,13H,2,4H2,1H3,(H,11,12)
InChIKeyUPLQNPJJFMMCRR-UHFFFAOYSA-N
XLogP0.74
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide (CID 82715699) is 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NOCC(F)(F)F)[nH]1.
What is the InChIKey of 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide?
The InChIKey is UPLQNPJJFMMCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c1-2-5-11-3-6(12-5)17(14,15)13-16-4-7(8,9)10/h3,13H,2,4H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide?
2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide has a molecular weight of 273.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 82715699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).