1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium

C11H14FN2O2S+ — CID 1489256

IUPAC1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
SMILESCC1=[N+](C)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN2O2S/c1-9-13(2)7-8-14(9)17(15,16)11-5-3-10(12)4-6-11/h3-6H,7-8H2,1-2H3/q+1
InChIKeyNHPBFZBGACJZPG-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.89
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium

1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium (PubChem CID 1489256) has the molecular formula C11H14FN2O2S+ and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
PubChem CID1489256
Molecular FormulaC11H14FN2O2S+
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
SMILESCC1=[N+](C)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN2O2S/c1-9-13(2)7-8-14(9)17(15,16)11-5-3-10(12)4-6-11/h3-6H,7-8H2,1-2H3/q+1
InChIKeyNHPBFZBGACJZPG-UHFFFAOYSA-N
XLogP0.89
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium (CID 1489256) is 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium is CC1=[N+](C)CCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
The InChIKey is NHPBFZBGACJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN2O2S/c1-9-13(2)7-8-14(9)17(15,16)11-5-3-10(12)4-6-11/h3-6H,7-8H2,1-2H3/q+1.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium?
1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium has a molecular weight of 257.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 1489256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).