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

C8H13F3N4O3S — CID 63980416

IUPAC5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H13F3N4O3S/c1-14-5-13-6(12)7(14)19(17,18)15(2-3-16)4-8(9,10)11/h5,16H,2-4,12H2,1H3
InChIKeyNFRNRKHGDQQRKM-UHFFFAOYSA-N
MW302.28 g/mol
LogP-0.45
Rot. Bonds5

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

5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63980416) has the molecular formula C8H13F3N4O3S and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63980416
Molecular FormulaC8H13F3N4O3S
Molecular Weight302.28 g/mol
Exact Mass302.07
IUPAC Name5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H13F3N4O3S/c1-14-5-13-6(12)7(14)19(17,18)15(2-3-16)4-8(9,10)11/h5,16H,2-4,12H2,1H3
InChIKeyNFRNRKHGDQQRKM-UHFFFAOYSA-N
XLogP-0.45
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63980416) is 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is NFRNRKHGDQQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O3S/c1-14-5-13-6(12)7(14)19(17,18)15(2-3-16)4-8(9,10)11/h5,16H,2-4,12H2,1H3.
What are the key properties of 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 302.28 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63980416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).