N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide

C14H20N4O2S — CID 62102468

IUPACN-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C14H20N4O2S/c1-4-17-10-14(16-11(17)3)21(19,20)18(5-2)13-9-7-6-8-12(13)15/h6-10H,4-5,15H2,1-3H3
InChIKeyLHWVWRMUWIFGGM-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.01
Rot. Bonds5

About N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide

N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide (PubChem CID 62102468) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
PubChem CID62102468
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C14H20N4O2S/c1-4-17-10-14(16-11(17)3)21(19,20)18(5-2)13-9-7-6-8-12(13)15/h6-10H,4-5,15H2,1-3H3
InChIKeyLHWVWRMUWIFGGM-UHFFFAOYSA-N
XLogP2.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.01
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-diethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide (CID 62102468) is N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide is CCN(c1ccccc1N)S(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is LHWVWRMUWIFGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-17-10-14(16-11(17)3)21(19,20)18(5-2)13-9-7-6-8-12(13)15/h6-10H,4-5,15H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide?
N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.01, 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-diethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62102468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).