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

C9H15F3N4O2S — CID 63979844

IUPAC5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H15F3N4O2S/c1-3-4-16(5-9(10,11)12)19(17,18)8-7(13)14-6-15(8)2/h6H,3-5,13H2,1-2H3
InChIKeyCZYCSHTZGZZWAQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.97
Rot. Bonds5

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

5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63979844) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63979844
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H15F3N4O2S/c1-3-4-16(5-9(10,11)12)19(17,18)8-7(13)14-6-15(8)2/h6H,3-5,13H2,1-2H3
InChIKeyCZYCSHTZGZZWAQ-UHFFFAOYSA-N
XLogP0.97
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.97
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-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 43456006
5-chloro-1-methyl-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 45833327
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-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54983810
5-chloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 60527042
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 60746134
5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61045589
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63979844) is 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is CZYCSHTZGZZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-3-4-16(5-9(10,11)12)19(17,18)8-7(13)14-6-15(8)2/h6H,3-5,13H2,1-2H3.
What are the key properties of 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63979844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).