1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide

C11H12FN3O3S — CID 79372689

IUPAC1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C11H12FN3O3S/c1-2-15-6-11(13-7-15)19(17,18)14-8-3-4-10(16)9(12)5-8/h3-7,14,16H,2H2,1H3
InChIKeyVTMTULDIOPGZQN-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.55
Rot. Bonds4

About 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide

1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide (PubChem CID 79372689) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide
PubChem CID79372689
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C11H12FN3O3S/c1-2-15-6-11(13-7-15)19(17,18)14-8-3-4-10(16)9(12)5-8/h3-7,14,16H,2H2,1H3
InChIKeyVTMTULDIOPGZQN-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-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-(3-chloro-4-hydroxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79373206
N-(3,4-dicyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 107796632
N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
CID 79372959
N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide
CID 79372870
N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
CID 103752880
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
CID 107745907
2-[(1-ethylimidazol-4-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016863
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
CID 71927147
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide (CID 79372689) is 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1.
What is the InChIKey of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide?
The InChIKey is VTMTULDIOPGZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-2-15-6-11(13-7-15)19(17,18)14-8-3-4-10(16)9(12)5-8/h3-7,14,16H,2H2,1H3.
What are the key properties of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide?
1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 79372689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).