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

C8H13F3N4O2S — CID 113326670

IUPAC5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H13F3N4O2S/c1-15-5-13-6(12)7(15)18(16,17)14-4-2-3-8(9,10)11/h5,14H,2-4,12H2,1H3
InChIKeyQSLCSSKCLVFLAL-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.62
Rot. Bonds5

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

5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide (PubChem CID 113326670) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
PubChem CID113326670
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC Name5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H13F3N4O2S/c1-15-5-13-6(12)7(15)18(16,17)14-4-2-3-8(9,10)11/h5,14H,2-4,12H2,1H3
InChIKeyQSLCSSKCLVFLAL-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Amino-1-methyl-1H-imidazole-5-sulfonamide
CID 279492
5-Amino-3-methylimidazole-4-sulfonamide;hydrochloride
CID 54599459
5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 43456006
N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046128
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
5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63977922
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
5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979673

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide (CID 113326670) is 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide?
The InChIKey is QSLCSSKCLVFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-15-5-13-6(12)7(15)18(16,17)14-4-2-3-8(9,10)11/h5,14H,2-4,12H2,1H3.
What are the key properties of 5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.62, 5 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-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide is sourced from PubChem (CID 113326670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).