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

C9H15F3N4O2S — CID 115515239

IUPAC5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H15F3N4O2S/c1-16-6-14-7(13)8(16)19(17,18)15-5-3-2-4-9(10,11)12/h6,15H,2-5,13H2,1H3
InChIKeyLKVYSGQLKKNNPV-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.01
Rot. Bonds6

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

5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide (PubChem CID 115515239) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide
PubChem CID115515239
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H15F3N4O2S/c1-16-6-14-7(13)8(16)19(17,18)15-5-3-2-4-9(10,11)12/h6,15H,2-5,13H2,1H3
InChIKeyLKVYSGQLKKNNPV-UHFFFAOYSA-N
XLogP1.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.01
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-(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
5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979844
5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979848
5-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980049

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide (CID 115515239) is 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide?
The InChIKey is LKVYSGQLKKNNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-16-6-14-7(13)8(16)19(17,18)15-5-3-2-4-9(10,11)12/h6,15H,2-5,13H2,1H3.
What are the key properties of 5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.01, 6 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-(5,5,5-trifluoropentyl)imidazole-4-sulfonamide is sourced from PubChem (CID 115515239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).