N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide

C8H12F3N3O2S — CID 62999490

IUPACN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C8H12F3N3O2S/c1-3-14(5-8(9,10)11)17(15,16)7-4-12-6(2)13-7/h4H,3,5H2,1-2H3,(H,12,13)
InChIKeyNJVPSRURNUXOBJ-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.29
Rot. Bonds4

About N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide

N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide (PubChem CID 62999490) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
PubChem CID62999490
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C8H12F3N3O2S/c1-3-14(5-8(9,10)11)17(15,16)7-4-12-6(2)13-7/h4H,3,5H2,1-2H3,(H,12,13)
InChIKeyNJVPSRURNUXOBJ-UHFFFAOYSA-N
XLogP1.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide (CID 62999490) is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is NJVPSRURNUXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-3-14(5-8(9,10)11)17(15,16)7-4-12-6(2)13-7/h4H,3,5H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide?
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62999490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).