2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid

C17H13ClN2O4S — CID 11793960

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O4S/c1-25(23,24)14-8-6-13(7-9-14)20-10-15(17(21)22)19-16(20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyHJOOYXVHVCGAJC-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.29
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid (PubChem CID 11793960) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid
PubChem CID11793960
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O4S/c1-25(23,24)14-8-6-13(7-9-14)20-10-15(17(21)22)19-16(20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyHJOOYXVHVCGAJC-UHFFFAOYSA-N
XLogP3.29
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid (CID 11793960) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid is CS(=O)(=O)c1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid?
The InChIKey is HJOOYXVHVCGAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c1-25(23,24)14-8-6-13(7-9-14)20-10-15(17(21)22)19-16(20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid has a molecular weight of 376.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 11793960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).