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

C10H16F3N3O3S — CID 107483760

IUPAC1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)nc1C
InChIInChI=1S/C10H16F3N3O3S/c1-3-15-6-9(14-8(15)2)20(18,19)16(4-5-17)7-10(11,12)13/h6,17H,3-5,7H2,1-2H3
InChIKeyKPYMQDUOPWFBBI-UHFFFAOYSA-N
MW315.32 g/mol
LogP0.76
Rot. Bonds6

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

1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 107483760) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID107483760
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC Name1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)nc1C
InChIInChI=1S/C10H16F3N3O3S/c1-3-15-6-9(14-8(15)2)20(18,19)16(4-5-17)7-10(11,12)13/h6,17H,3-5,7H2,1-2H3
InChIKeyKPYMQDUOPWFBBI-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 50.76
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)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 107483760) is 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)nc1C.
What is the InChIKey of 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is KPYMQDUOPWFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c1-3-15-6-9(14-8(15)2)20(18,19)16(4-5-17)7-10(11,12)13/h6,17H,3-5,7H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 315.32 g/mol, XLogP of 0.76, 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)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107483760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).