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

C9H14F3N3O3S — CID 107483772

IUPAC1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H14F3N3O3S/c1-2-14-5-8(13-7-14)19(17,18)15(3-4-16)6-9(10,11)12/h5,7,16H,2-4,6H2,1H3
InChIKeyLHIWNUVODPVYBH-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.45
Rot. Bonds6

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

1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 107483772) has the molecular formula C9H14F3N3O3S and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID107483772
Molecular FormulaC9H14F3N3O3S
Molecular Weight301.29 g/mol
Exact Mass301.07
IUPAC Name1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H14F3N3O3S/c1-2-14-5-8(13-7-14)19(17,18)15(3-4-16)6-9(10,11)12/h5,7,16H,2-4,6H2,1H3
InChIKeyLHIWNUVODPVYBH-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 107483772) is 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is LHIWNUVODPVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3S/c1-2-14-5-8(13-7-14)19(17,18)15(3-4-16)6-9(10,11)12/h5,7,16H,2-4,6H2,1H3.
What are the key properties of 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 301.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107483772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).