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

C9H14F3N3O3S — CID 107483811

IUPACN-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(CCO)CC(F)(F)F)cn1C
InChIInChI=1S/C9H14F3N3O3S/c1-7-13-8(5-14(7)2)19(17,18)15(3-4-16)6-9(10,11)12/h5,16H,3-4,6H2,1-2H3
InChIKeyBJJGXTHGTDANHE-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.27
Rot. Bonds5

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

N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 107483811) has the molecular formula C9H14F3N3O3S and a molecular weight of 301.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID107483811
Molecular FormulaC9H14F3N3O3S
Molecular Weight301.29 g/mol
Exact Mass301.07
IUPAC NameN-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(CCO)CC(F)(F)F)cn1C
InChIInChI=1S/C9H14F3N3O3S/c1-7-13-8(5-14(7)2)19(17,18)15(3-4-16)6-9(10,11)12/h5,16H,3-4,6H2,1-2H3
InChIKeyBJJGXTHGTDANHE-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 107483811) is N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(CCO)CC(F)(F)F)cn1C.
What is the InChIKey of N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is BJJGXTHGTDANHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3S/c1-7-13-8(5-14(7)2)19(17,18)15(3-4-16)6-9(10,11)12/h5,16H,3-4,6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 301.29 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107483811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).