8-methylsulfonylquinoline-5-carboxylic acid

C11H9NO4S — CID 18403027

IUPAC8-methylsulfonylquinoline-5-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C(=O)O)c2cccnc12
InChIInChI=1S/C11H9NO4S/c1-17(15,16)9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyUIRXODHSPZVTQB-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.34
Rot. Bonds2

About 8-methylsulfonylquinoline-5-carboxylic acid

8-methylsulfonylquinoline-5-carboxylic acid (PubChem CID 18403027) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 8-methylsulfonylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name8-methylsulfonylquinoline-5-carboxylic acid
PubChem CID18403027
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name8-methylsulfonylquinoline-5-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C(=O)O)c2cccnc12
InChIInChI=1S/C11H9NO4S/c1-17(15,16)9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyUIRXODHSPZVTQB-UHFFFAOYSA-N
XLogP1.34
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonylquinoline-5-carboxylic acid?
The IUPAC name of 8-methylsulfonylquinoline-5-carboxylic acid (CID 18403027) is 8-methylsulfonylquinoline-5-carboxylic acid.
What is the SMILES notation for 8-methylsulfonylquinoline-5-carboxylic acid?
The canonical SMILES for 8-methylsulfonylquinoline-5-carboxylic acid is CS(=O)(=O)c1ccc(C(=O)O)c2cccnc12.
What is the InChIKey of 8-methylsulfonylquinoline-5-carboxylic acid?
The InChIKey is UIRXODHSPZVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c1-17(15,16)9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6H,1H3,(H,13,14).
What are the key properties of 8-methylsulfonylquinoline-5-carboxylic acid?
8-methylsulfonylquinoline-5-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonylquinoline-5-carboxylic acid is sourced from PubChem (CID 18403027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).