1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide

C11H12N4O5S — CID 107745907

IUPAC1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C11H12N4O5S/c1-2-14-6-11(12-7-14)21(19,20)13-9-4-3-8(15(17)18)5-10(9)16/h3-7,13,16H,2H2,1H3
InChIKeyFABOSKUBNLFGIG-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.32
Rot. Bonds5

About 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide

1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide (PubChem CID 107745907) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
PubChem CID107745907
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C11H12N4O5S/c1-2-14-6-11(12-7-14)21(19,20)13-9-4-3-8(15(17)18)5-10(9)16/h3-7,13,16H,2H2,1H3
InChIKeyFABOSKUBNLFGIG-UHFFFAOYSA-N
XLogP1.32
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide
CID 79372689
N-(3-chloro-4-hydroxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79373206
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103717307
3-chloro-4-[(1-ethylimidazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 107808694
N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
CID 103752880
N-(3,4-dicyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 107796632
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79372834
N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
CID 79372959
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
CID 79369162
1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
CID 107745957

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide (CID 107745907) is 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)c1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide?
The InChIKey is FABOSKUBNLFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-2-14-6-11(12-7-14)21(19,20)13-9-4-3-8(15(17)18)5-10(9)16/h3-7,13,16H,2H2,1H3.
What are the key properties of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide?
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107745907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).