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

C10H13ClF3N3O3S — CID 82912647

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H13ClF3N3O3S/c1-6(2)9-16-8(21(11,19)20)4-17(9)3-7(18)15-5-10(12,13)14/h4,6H,3,5H2,1-2H3,(H,15,18)
InChIKeyLUDOORASFIGYNL-UHFFFAOYSA-N
MW347.75 g/mol
LogP1.61
Rot. Bonds5

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

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride (PubChem CID 82912647) has the molecular formula C10H13ClF3N3O3S and a molecular weight of 347.75 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
PubChem CID82912647
Molecular FormulaC10H13ClF3N3O3S
Molecular Weight347.75 g/mol
Exact Mass347.03
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H13ClF3N3O3S/c1-6(2)9-16-8(21(11,19)20)4-17(9)3-7(18)15-5-10(12,13)14/h4,6H,3,5H2,1-2H3,(H,15,18)
InChIKeyLUDOORASFIGYNL-UHFFFAOYSA-N
XLogP1.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-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

Related Compounds

N,N-dimethyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide
CID 64149109
2-[methyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64149277
2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64149278
1-(2,2-Difluoroethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 64151336
2-(2-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64151549
2-Propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonyl chloride
CID 64152342
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64153597
2-[1H-imidazol-5-ylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 64155149
1-(Difluoromethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 64181920
2-Propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride
CID 64565943
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 71685744
2-Propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 81340198

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride (CID 82912647) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride is CC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The InChIKey is LUDOORASFIGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O3S/c1-6(2)9-16-8(21(11,19)20)4-17(9)3-7(18)15-5-10(12,13)14/h4,6H,3,5H2,1-2H3,(H,15,18).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride has a molecular weight of 347.75 g/mol, XLogP of 1.61, 5 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]-2-propan-2-ylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82912647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).