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

C7H10F3N3O3S — CID 81340845

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)4-16-2-1-13-3-6(12-5-13)17(11,14)15/h3,5H,1-2,4H2,(H2,11,14,15)
InChIKeyMDKSYBYSKQRIGW-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.11
Rot. Bonds5

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

1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide (PubChem CID 81340845) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide
PubChem CID81340845
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)4-16-2-1-13-3-6(12-5-13)17(11,14)15/h3,5H,1-2,4H2,(H2,11,14,15)
InChIKeyMDKSYBYSKQRIGW-UHFFFAOYSA-N
XLogP0.11
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.11
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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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-imidazole-4-sulfonyl chloride
CID 64145707
1-(2,2,2-trifluoroethyl)-1H-imidazole-4-sulfonamide
CID 81339886
5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-sulfonamide
CID 122199026
1-(2,2-Difluoroethyl)imidazole-4-sulfonyl chloride
CID 64144281
1-(2-ethoxyethyl)-3-methylimidazol-3-ium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87942573
1-(3,3,3-Trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155187964
4-(1,2-Dimethyl-1H-imidazole-4-sulfonyl)morpholine
CID 62492168
1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64145557
1-[2-(2,2,2-Trifluoroethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 64145715
2-Propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 64150540
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-5-sulfonamide
CID 64151528
2-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide (CID 81340845) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide is NS(=O)(=O)c1cn(CCOCC(F)(F)F)cn1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide?
The InChIKey is MDKSYBYSKQRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c8-7(9,10)4-16-2-1-13-3-6(12-5-13)17(11,14)15/h3,5H,1-2,4H2,(H2,11,14,15).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide?
1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide has a molecular weight of 273.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81340845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).