N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide

C12H16N4O3S — CID 79372788

IUPACN-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(OC)ccc2N)c1
InChIInChI=1S/C12H16N4O3S/c1-3-16-7-12(14-8-16)20(17,18)15-11-6-9(19-2)4-5-10(11)13/h4-8,15H,3,13H2,1-2H3
InChIKeyKLIAIVOSPNZPTR-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.29
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide

N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79372788) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
PubChem CID79372788
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(OC)ccc2N)c1
InChIInChI=1S/C12H16N4O3S/c1-3-16-7-12(14-8-16)20(17,18)15-11-6-9(19-2)4-5-10(11)13/h4-8,15H,3,13H2,1-2H3
InChIKeyKLIAIVOSPNZPTR-UHFFFAOYSA-N
XLogP1.29
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-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

Related Compounds

N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79372834
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63258965
N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
CID 79372959
N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 79373884
N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
CID 103752880
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
CID 107745907
3-chloro-4-[(1-ethylimidazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 107808694
2-[(1-ethylimidazol-4-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016863
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 103791860
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
CID 79369162
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide (CID 79372788) is N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2cc(OC)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is KLIAIVOSPNZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-16-7-12(14-8-16)20(17,18)15-11-6-9(19-2)4-5-10(11)13/h4-8,15H,3,13H2,1-2H3.
What are the key properties of N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79372788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).