N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide

C13H18N4O2S — CID 79373182

IUPACN-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C13H18N4O2S/c1-3-16-9-13(15-10-16)20(18,19)17(4-2)12-8-6-5-7-11(12)14/h5-10H,3-4,14H2,1-2H3
InChIKeyIUSJIXKHCILLLC-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.70
Rot. Bonds5

About N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide

N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide (PubChem CID 79373182) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide
PubChem CID79373182
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C13H18N4O2S/c1-3-16-9-13(15-10-16)20(18,19)17(4-2)12-8-6-5-7-11(12)14/h5-10H,3-4,14H2,1-2H3
InChIKeyIUSJIXKHCILLLC-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide (CID 79373182) is N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide is CCN(c1ccccc1N)S(=O)(=O)c1cn(CC)cn1.
What is the InChIKey of N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide?
The InChIKey is IUSJIXKHCILLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-16-9-13(15-10-16)20(18,19)17(4-2)12-8-6-5-7-11(12)14/h5-10H,3-4,14H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide?
N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N,1-diethylimidazole-4-sulfonamide is sourced from PubChem (CID 79373182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).