8-(benzenesulfonamido)quinoline-2-carboxylic acid

C16H12N2O4S — CID 101161251

IUPAC8-(benzenesulfonamido)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C16H12N2O4S/c19-16(20)14-10-9-11-5-4-8-13(15(11)17-14)18-23(21,22)12-6-2-1-3-7-12/h1-10,18H,(H,19,20)
InChIKeyFCWDLMKGYPCUSF-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.73
Rot. Bonds4

About 8-(benzenesulfonamido)quinoline-2-carboxylic acid

8-(benzenesulfonamido)quinoline-2-carboxylic acid (PubChem CID 101161251) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 8-(benzenesulfonamido)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(benzenesulfonamido)quinoline-2-carboxylic acid
PubChem CID101161251
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name8-(benzenesulfonamido)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C16H12N2O4S/c19-16(20)14-10-9-11-5-4-8-13(15(11)17-14)18-23(21,22)12-6-2-1-3-7-12/h1-10,18H,(H,19,20)
InChIKeyFCWDLMKGYPCUSF-UHFFFAOYSA-N
XLogP2.73
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,10-phenanthroline-2,9-dicarboxylic Acid
CID 7567134
3-(Quinolin-8-ylsulfonylamino)benzoic acid
CID 699753
8-aminoquinoline-2-carboxylic Acid
CID 917054
8-(Methanesulfonamido)quinoline-2-carboxylic acid
CID 22670867
8-[(4-Methylphenyl)sulfonylamino]quinoline-2-carboxylic acid
CID 158901704
3-(Quinolin-8-ylsulfamoyl)-benzoic acid methyl ester
CID 31702993
2-[(2,3-Diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid
CID 71740073
4-Phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
CID 168510355
5-Phenyl-8-(pyridin-2-ylsulfonylamino)quinoline-2-carboxylic acid
CID 169449988
6-[2-[2-(Naphthalen-2-ylsulfonylamino)phenyl]ethynyl]pyridine-2-carboxylic acid
CID 171349927
4-(3-Aminophenyl)-8-(methanesulfonamido)quinoline-2-carboxylic acid
CID 172441288
8-[(3-Chlorophenyl)sulfonylamino]quinoline-2-carboxylic acid
CID 172443064

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonamido)quinoline-2-carboxylic acid?
The IUPAC name of 8-(benzenesulfonamido)quinoline-2-carboxylic acid (CID 101161251) is 8-(benzenesulfonamido)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(benzenesulfonamido)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(benzenesulfonamido)quinoline-2-carboxylic acid is O=C(O)c1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 8-(benzenesulfonamido)quinoline-2-carboxylic acid?
The InChIKey is FCWDLMKGYPCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(20)14-10-9-11-5-4-8-13(15(11)17-14)18-23(21,22)12-6-2-1-3-7-12/h1-10,18H,(H,19,20).
What are the key properties of 8-(benzenesulfonamido)quinoline-2-carboxylic acid?
8-(benzenesulfonamido)quinoline-2-carboxylic acid has a molecular weight of 328.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonamido)quinoline-2-carboxylic acid is sourced from PubChem (CID 101161251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).