5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid

C16H11FN2O4S — CID 22398672

IUPAC5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H11FN2O4S/c17-11-6-7-13(12(9-11)16(20)21)19-24(22,23)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H,(H,20,21)
InChIKeyTUNNNFLDZNSBQK-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.87
Rot. Bonds4

About 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid

5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid (PubChem CID 22398672) has the molecular formula C16H11FN2O4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
PubChem CID22398672
Molecular FormulaC16H11FN2O4S
Molecular Weight346.34 g/mol
Exact Mass346.04
IUPAC Name5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H11FN2O4S/c17-11-6-7-13(12(9-11)16(20)21)19-24(22,23)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H,(H,20,21)
InChIKeyTUNNNFLDZNSBQK-UHFFFAOYSA-N
XLogP2.87
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide
CID 22398726
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
5-fluoro-N-[1-[2-(2-iminoethyl)phenyl]propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 163644939
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid (CID 22398672) is 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid is O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid?
The InChIKey is TUNNNFLDZNSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S/c17-11-6-7-13(12(9-11)16(20)21)19-24(22,23)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H,(H,20,21).
What are the key properties of 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid?
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid has a molecular weight of 346.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 22398672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).