5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C6H9F3N4O2S — CID 63977922

IUPAC5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N4O2S/c1-13-3-11-4(10)5(13)16(14,15)12-2-6(7,8)9/h3,12H,2,10H2,1H3
InChIKeyRNYRTWTURHJESD-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.16
Rot. Bonds3

About 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63977922) has the molecular formula C6H9F3N4O2S and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63977922
Molecular FormulaC6H9F3N4O2S
Molecular Weight258.23 g/mol
Exact Mass258.04
IUPAC Name5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N4O2S/c1-13-3-11-4(10)5(13)16(14,15)12-2-6(7,8)9/h3,12H,2,10H2,1H3
InChIKeyRNYRTWTURHJESD-UHFFFAOYSA-N
XLogP-0.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide 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

4-Amino-1-methyl-1H-imidazole-5-sulfonamide
CID 279492
5-Amino-3-methylimidazole-4-sulfonamide;hydrochloride
CID 54599459
N-methyl-4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide
CID 57389182
5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 43456006
5-chloro-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
CID 47214942
5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54942044
5-chloro-N,1-dimethyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 61384459
5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 63226847
5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63977746
1-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine
CID 63978703
5-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63978886
5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979466

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63977922) is 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is RNYRTWTURHJESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S/c1-13-3-11-4(10)5(13)16(14,15)12-2-6(7,8)9/h3,12H,2,10H2,1H3.
What are the key properties of 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 258.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63977922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).