1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid

C11H10N2O4S — CID 26967023

IUPAC1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2cnc(C(=O)O)c2)cc1
InChIInChI=1S/C11H10N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15)
InChIKeyKEHGFYXOUGMVJB-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.13
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid

1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid (PubChem CID 26967023) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
PubChem CID26967023
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2cnc(C(=O)O)c2)cc1
InChIInChI=1S/C11H10N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15)
InChIKeyKEHGFYXOUGMVJB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic 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

1-(4-methylphenyl)sulfonyl-4-(2-phenylethynyl)imidazole
CID 11120834
2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]acetonitrile
CID 70038414
4-[(E)-3-bromoprop-1-enyl]-1-(4-methylphenyl)sulfonylimidazole
CID 100948429
1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
CID 132933457
1-[1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)pyrrol-3-yl]propan-2-one
CID 71680984
methyl 2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate
CID 561723
(2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 6455010
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole
CID 50876229
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid (CID 26967023) is 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid is Cc1ccc(S(=O)(=O)n2cnc(C(=O)O)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid?
The InChIKey is KEHGFYXOUGMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15).
What are the key properties of 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid?
1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid is sourced from PubChem (CID 26967023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).