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

C8H11ClF3N3O2S — CID 54942044

IUPAC5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H11ClF3N3O2S/c1-3-15(4-8(10,11)12)18(16,17)7-6(9)14(2)5-13-7/h5H,3-4H2,1-2H3
InChIKeyKWCYEAICOSAIHK-UHFFFAOYSA-N
MW305.71 g/mol
LogP1.65
Rot. Bonds4

About 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 54942044) has the molecular formula C8H11ClF3N3O2S and a molecular weight of 305.71 g/mol. Its IUPAC name is 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID54942044
Molecular FormulaC8H11ClF3N3O2S
Molecular Weight305.71 g/mol
Exact Mass305.02
IUPAC Name5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H11ClF3N3O2S/c1-3-15(4-8(10,11)12)18(16,17)7-6(9)14(2)5-13-7/h5H,3-4H2,1-2H3
InChIKeyKWCYEAICOSAIHK-UHFFFAOYSA-N
XLogP1.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 54942044) is 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is KWCYEAICOSAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3O2S/c1-3-15(4-8(10,11)12)18(16,17)7-6(9)14(2)5-13-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 305.71 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 54942044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).