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

C13H18N4O2S — CID 63980403

IUPAC5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C13H18N4O2S/c1-16-10-15-12(14)13(16)20(18,19)17(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,14H2,1-2H3
InChIKeyWMWUMAQXSTWVGQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.87
Rot. Bonds5

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

5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide (PubChem CID 63980403) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide
PubChem CID63980403
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C13H18N4O2S/c1-16-10-15-12(14)13(16)20(18,19)17(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,14H2,1-2H3
InChIKeyWMWUMAQXSTWVGQ-UHFFFAOYSA-N
XLogP0.87
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-N,3-dimethyl-N-(2-phenylethyl)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,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide (CID 63980403) is 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide is CN(CCc1ccccc1)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide?
The InChIKey is WMWUMAQXSTWVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16-10-15-12(14)13(16)20(18,19)17(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,14H2,1-2H3.
What are the key properties of 5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide?
5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.87, 5 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-phenylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63980403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).