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

C10H17F3N4O2S — CID 63979673

IUPAC5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C10H17F3N4O2S/c1-3-4-5-17(6-10(11,12)13)20(18,19)9-8(14)15-7-16(9)2/h7H,3-6,14H2,1-2H3
InChIKeyHVZRAMWPEAFQAS-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.36
Rot. Bonds6

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

5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63979673) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63979673
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC Name5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C10H17F3N4O2S/c1-3-4-5-17(6-10(11,12)13)20(18,19)9-8(14)15-7-16(9)2/h7H,3-6,14H2,1-2H3
InChIKeyHVZRAMWPEAFQAS-UHFFFAOYSA-N
XLogP1.36
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54942044
5-chloro-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54979866
5-chloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 60527042
N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046128
5-chloro-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046693
5-chloro-N,1-dimethyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 61384459
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63979673) is 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is HVZRAMWPEAFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-3-4-5-17(6-10(11,12)13)20(18,19)9-8(14)15-7-16(9)2/h7H,3-6,14H2,1-2H3.
What are the key properties of 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63979673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).