1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride

C7H7ClF3N3O3S — CID 82911008

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride
SMILESO=C(Cn1cnc(S(=O)(=O)Cl)c1)NCC(F)(F)F
InChIInChI=1S/C7H7ClF3N3O3S/c8-18(16,17)6-2-14(4-13-6)1-5(15)12-3-7(9,10)11/h2,4H,1,3H2,(H,12,15)
InChIKeyNGKSVUYSLYQNIK-UHFFFAOYSA-N
MW305.67 g/mol
LogP0.49
Rot. Bonds4

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride (PubChem CID 82911008) has the molecular formula C7H7ClF3N3O3S and a molecular weight of 305.67 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride
PubChem CID82911008
Molecular FormulaC7H7ClF3N3O3S
Molecular Weight305.67 g/mol
Exact Mass304.98
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride
SMILESO=C(Cn1cnc(S(=O)(=O)Cl)c1)NCC(F)(F)F
InChIInChI=1S/C7H7ClF3N3O3S/c8-18(16,17)6-2-14(4-13-6)1-5(15)12-3-7(9,10)11/h2,4H,1,3H2,(H,12,15)
InChIKeyNGKSVUYSLYQNIK-UHFFFAOYSA-N
XLogP0.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.67
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride (CID 82911008) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride is O=C(Cn1cnc(S(=O)(=O)Cl)c1)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride?
The InChIKey is NGKSVUYSLYQNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O3S/c8-18(16,17)6-2-14(4-13-6)1-5(15)12-3-7(9,10)11/h2,4H,1,3H2,(H,12,15).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride has a molecular weight of 305.67 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).