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

C12H16N4O3S — CID 79372834

IUPACN-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(N)ccc2OC)c1
InChIInChI=1S/C12H16N4O3S/c1-3-16-7-12(14-8-16)20(17,18)15-10-6-9(13)4-5-11(10)19-2/h4-8,15H,3,13H2,1-2H3
InChIKeySNXQAUSIGPJENR-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.29
Rot. Bonds5

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

N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79372834) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
PubChem CID79372834
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(N)ccc2OC)c1
InChIInChI=1S/C12H16N4O3S/c1-3-16-7-12(14-8-16)20(17,18)15-10-6-9(13)4-5-11(10)19-2/h4-8,15H,3,13H2,1-2H3
InChIKeySNXQAUSIGPJENR-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'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79372788
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 103791860
N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
CID 79372959
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
CID 79369162
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
CID 107745907
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide (CID 79372834) is N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2cc(N)ccc2OC)c1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is SNXQAUSIGPJENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-16-7-12(14-8-16)20(17,18)15-10-6-9(13)4-5-11(10)19-2/h4-8,15H,3,13H2,1-2H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide?
N-(5-amino-2-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-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79372834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).