1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide

C12H14FN3O3S — CID 64782205

IUPAC1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1C
InChIInChI=1S/C12H14FN3O3S/c1-3-16-7-12(14-8(16)2)20(18,19)15-9-4-5-11(17)10(13)6-9/h4-7,15,17H,3H2,1-2H3
InChIKeyGTKCQMPZUKRCIO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide

1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide (PubChem CID 64782205) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide
PubChem CID64782205
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1C
InChIInChI=1S/C12H14FN3O3S/c1-3-16-7-12(14-8(16)2)20(18,19)15-9-4-5-11(17)10(13)6-9/h4-7,15,17H,3H2,1-2H3
InChIKeyGTKCQMPZUKRCIO-UHFFFAOYSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide (CID 64782205) is 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1C.
What is the InChIKey of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide?
The InChIKey is GTKCQMPZUKRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-3-16-7-12(14-8(16)2)20(18,19)15-9-4-5-11(17)10(13)6-9/h4-7,15,17H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-2-methylimidazole-4-sulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.86, 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)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 64782205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).