5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid

C16H10F2N2O4S — CID 55676538

IUPAC5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C16H10F2N2O4S/c17-9-3-5-13(11(8-9)16(21)22)20-25(23,24)14-6-4-12(18)15-10(14)2-1-7-19-15/h1-8,20H,(H,21,22)
InChIKeyACDLNLLFYUVYGS-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.01
Rot. Bonds4

About 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid

5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid (PubChem CID 55676538) has the molecular formula C16H10F2N2O4S and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
PubChem CID55676538
Molecular FormulaC16H10F2N2O4S
Molecular Weight364.33 g/mol
Exact Mass364.03
IUPAC Name5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C16H10F2N2O4S/c17-9-3-5-13(11(8-9)16(21)22)20-25(23,24)14-6-4-12(18)15-10(14)2-1-7-19-15/h1-8,20H,(H,21,22)
InChIKeyACDLNLLFYUVYGS-UHFFFAOYSA-N
XLogP3.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
CID 60534314
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
CID 39824401
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
CID 31914993
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
CID 60532006

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid (CID 55676538) is 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid is O=C(O)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
The InChIKey is ACDLNLLFYUVYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O4S/c17-9-3-5-13(11(8-9)16(21)22)20-25(23,24)14-6-4-12(18)15-10(14)2-1-7-19-15/h1-8,20H,(H,21,22).
What are the key properties of 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid has a molecular weight of 364.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 55676538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).