1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid

C7H9F2N3O4S — CID 107497760

IUPAC1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNS(=O)(=O)C(F)F)cn1
InChIInChI=1S/C7H9F2N3O4S/c8-7(9)17(15,16)11-1-2-12-3-5(6(13)14)10-4-12/h3-4,7,11H,1-2H2,(H,13,14)
InChIKeyPUXCEWSHEZXLNQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP-0.28
Rot. Bonds6

About 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107497760) has the molecular formula C7H9F2N3O4S and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107497760
Molecular FormulaC7H9F2N3O4S
Molecular Weight269.23 g/mol
Exact Mass269.03
IUPAC Name1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNS(=O)(=O)C(F)F)cn1
InChIInChI=1S/C7H9F2N3O4S/c8-7(9)17(15,16)11-1-2-12-3-5(6(13)14)10-4-12/h3-4,7,11H,1-2H2,(H,13,14)
InChIKeyPUXCEWSHEZXLNQ-UHFFFAOYSA-N
XLogP-0.28
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid 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

1-[2-(benzylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107497874
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107498018
1-[2-[(4-bromophenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497958
1-[2-(3-methoxypropylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107498077
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-[2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497791
1-[2-[(2-methyl-2-methylsulfonylpropanoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496490
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-(2,3,3-trifluoropropyl)imidazole-4-carboxylic acid
CID 175565997

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid (CID 107497760) is 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCNS(=O)(=O)C(F)F)cn1.
What is the InChIKey of 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is PUXCEWSHEZXLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O4S/c8-7(9)17(15,16)11-1-2-12-3-5(6(13)14)10-4-12/h3-4,7,11H,1-2H2,(H,13,14).
What are the key properties of 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 269.23 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).