4-(1-methylsulfonylimidazol-2-yl)benzoic acid

C11H10N2O4S — CID 110539899

IUPAC4-(1-methylsulfonylimidazol-2-yl)benzoic acid
SMILESCS(=O)(=O)n1ccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10N2O4S/c1-18(16,17)13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyFHRKAYMHOJSKLK-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.06
Rot. Bonds3

About 4-(1-methylsulfonylimidazol-2-yl)benzoic acid

4-(1-methylsulfonylimidazol-2-yl)benzoic acid (PubChem CID 110539899) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-(1-methylsulfonylimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-methylsulfonylimidazol-2-yl)benzoic acid
PubChem CID110539899
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name4-(1-methylsulfonylimidazol-2-yl)benzoic acid
SMILESCS(=O)(=O)n1ccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10N2O4S/c1-18(16,17)13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyFHRKAYMHOJSKLK-UHFFFAOYSA-N
XLogP1.06
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylsulfonylimidazol-2-yl)benzoic acid 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

4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
N,N-diethyl-4-(1-methylsulfonylimidazol-2-yl)aniline
CID 110538941
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
2-phenyl-1-(trifluoromethylsulfonyl)imidazole
CID 69479486
4-imidazo[1,2-a]pyridin-6-ylbenzoic acid
CID 82063340
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylimidazol-2-yl)benzoic acid?
The IUPAC name of 4-(1-methylsulfonylimidazol-2-yl)benzoic acid (CID 110539899) is 4-(1-methylsulfonylimidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(1-methylsulfonylimidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(1-methylsulfonylimidazol-2-yl)benzoic acid is CS(=O)(=O)n1ccnc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-methylsulfonylimidazol-2-yl)benzoic acid?
The InChIKey is FHRKAYMHOJSKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-18(16,17)13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 4-(1-methylsulfonylimidazol-2-yl)benzoic acid?
4-(1-methylsulfonylimidazol-2-yl)benzoic acid has a molecular weight of 266.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylimidazol-2-yl)benzoic acid is sourced from PubChem (CID 110539899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).