2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide

C10H16F3N3O3S — CID 81341824

IUPAC2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3S/c1-2-8-15-9(20(14,17)18)6-16(8)4-3-5-19-7-10(11,12)13/h6H,2-5,7H2,1H3,(H2,14,17,18)
InChIKeyZLTYWPCRKUBLAL-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.06
Rot. Bonds7

About 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide

2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide (PubChem CID 81341824) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
PubChem CID81341824
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC Name2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3S/c1-2-8-15-9(20(14,17)18)6-16(8)4-3-5-19-7-10(11,12)13/h6H,2-5,7H2,1H3,(H2,14,17,18)
InChIKeyZLTYWPCRKUBLAL-UHFFFAOYSA-N
XLogP1.06
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide?
The IUPAC name of 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide (CID 81341824) is 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1CCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide?
The InChIKey is ZLTYWPCRKUBLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c1-2-8-15-9(20(14,17)18)6-16(8)4-3-5-19-7-10(11,12)13/h6H,2-5,7H2,1H3,(H2,14,17,18).
What are the key properties of 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide?
2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide has a molecular weight of 315.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81341824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).