4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid

C21H15N3O4S — CID 168510355

IUPAC4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1
InChIInChI=1S/C21H15N3O4S/c25-21(26)18-13-16(14-7-2-1-3-8-14)15-9-6-10-17(20(15)23-18)24-29(27,28)19-11-4-5-12-22-19/h1-13,24H,(H,25,26)
InChIKeySSBXSUHBZWWIJQ-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.80
Rot. Bonds5

About 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid

4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid (PubChem CID 168510355) has the molecular formula C21H15N3O4S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
PubChem CID168510355
Molecular FormulaC21H15N3O4S
Molecular Weight405.44 g/mol
Exact Mass405.08
IUPAC Name4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1
InChIInChI=1S/C21H15N3O4S/c25-21(26)18-13-16(14-7-2-1-3-8-14)15-9-6-10-17(20(15)23-18)24-29(27,28)19-11-4-5-12-22-19/h1-13,24H,(H,25,26)
InChIKeySSBXSUHBZWWIJQ-UHFFFAOYSA-N
XLogP3.80
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid (CID 168510355) is 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2)c2cccc(NS(=O)(=O)c3ccccn3)c2n1.
What is the InChIKey of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid?
The InChIKey is SSBXSUHBZWWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4S/c25-21(26)18-13-16(14-7-2-1-3-8-14)15-9-6-10-17(20(15)23-18)24-29(27,28)19-11-4-5-12-22-19/h1-13,24H,(H,25,26).
What are the key properties of 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid?
4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid has a molecular weight of 405.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 168510355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).