3-(quinolin-8-ylsulfonylamino)benzoic acid

C16H12N2O4S — CID 699753

IUPAC3-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C16H12N2O4S/c19-16(20)12-5-1-7-13(10-12)18-23(21,22)14-8-2-4-11-6-3-9-17-15(11)14/h1-10,18H,(H,19,20)
InChIKeyCLILVEMCMVDPJI-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.73
Rot. Bonds4

About 3-(quinolin-8-ylsulfonylamino)benzoic acid

3-(quinolin-8-ylsulfonylamino)benzoic acid (PubChem CID 699753) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-(quinolin-8-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-(quinolin-8-ylsulfonylamino)benzoic acid
PubChem CID699753
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name3-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C16H12N2O4S/c19-16(20)12-5-1-7-13(10-12)18-23(21,22)14-8-2-4-11-6-3-9-17-15(11)14/h1-10,18H,(H,19,20)
InChIKeyCLILVEMCMVDPJI-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

Anthranilic Acid Sulfonamide, 10ac
CID 11576038
N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]quinoline-8-sulfonamide
CID 54688872
N-(3-{cyclopropyl[6-(1,3-dicyclopropylpropan-2-yl)-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl}phenyl)quinoline-8-sulfonamide
CID 54688925
N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2H-pyran-3-yl]methyl}phenyl)quinoline-8-sulfonamide
CID 54688931
N-[3-[Cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl]phenyl]-8-quinolinesulfonamide
CID 54688968
Sulfonamide-Substituted Cyclooctylpyranone deriv. 47a
CID 54685792
Sulfonamide-Substituted Cyclooctylpyranone deriv. 47b
CID 54688981
Sulfonamide-Substituted Cyclooctylpyranone deriv. 47c
CID 54688982
N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]quinoline-8-sulfonamide
CID 54685791
N-[3-[(R)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]quinoline-8-sulfonamide
CID 54691188
5-(2-(8-Quinolylthio)acetylamino)benzene-1,3-dicarboxylic acid
CID 2915450
3-[[4-(Pyridin-4-ylmethyl)phenyl]sulfamoyl]benzoic acid
CID 4848534

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-(quinolin-8-ylsulfonylamino)benzoic acid (CID 699753) is 3-(quinolin-8-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-(quinolin-8-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-(quinolin-8-ylsulfonylamino)benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of 3-(quinolin-8-ylsulfonylamino)benzoic acid?
The InChIKey is CLILVEMCMVDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(20)12-5-1-7-13(10-12)18-23(21,22)14-8-2-4-11-6-3-9-17-15(11)14/h1-10,18H,(H,19,20).
What are the key properties of 3-(quinolin-8-ylsulfonylamino)benzoic acid?
3-(quinolin-8-ylsulfonylamino)benzoic 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 3-(quinolin-8-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 699753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).