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

C7H11F3N4O2S — CID 63979466

IUPAC5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H11F3N4O2S/c1-13-4-12-5(11)6(13)17(15,16)14(2)3-7(8,9)10/h4H,3,11H2,1-2H3
InChIKeyYFXBCJIAMSJORP-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.19
Rot. Bonds3

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

5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63979466) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63979466
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H11F3N4O2S/c1-13-4-12-5(11)6(13)17(15,16)14(2)3-7(8,9)10/h4H,3,11H2,1-2H3
InChIKeyYFXBCJIAMSJORP-UHFFFAOYSA-N
XLogP0.19
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63979466) is 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is YFXBCJIAMSJORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-13-4-12-5(11)6(13)17(15,16)14(2)3-7(8,9)10/h4H,3,11H2,1-2H3.
What are the key properties of 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63979466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).