N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide

C12H16N4O2S — CID 62375606

IUPACN-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H16N4O2S/c1-3-16(11-7-5-4-6-10(11)13)19(17,18)12-8-15(2)9-14-12/h4-9H,3,13H2,1-2H3
InChIKeyBCNBSWXNVYPTBM-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.22
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide

N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 62375606) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID62375606
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H16N4O2S/c1-3-16(11-7-5-4-6-10(11)13)19(17,18)12-8-15(2)9-14-12/h4-9H,3,13H2,1-2H3
InChIKeyBCNBSWXNVYPTBM-UHFFFAOYSA-N
XLogP1.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.22
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-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide (CID 62375606) is N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(c1ccccc1N)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is BCNBSWXNVYPTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-16(11-7-5-4-6-10(11)13)19(17,18)12-8-15(2)9-14-12/h4-9H,3,13H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide?
N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62375606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).