3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid

C16H11FN2O4S — CID 39824436

IUPAC3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c3ncccc23)c1
InChIInChI=1S/C16H11FN2O4S/c17-13-6-7-14(12-5-2-8-18-15(12)13)24(22,23)19-11-4-1-3-10(9-11)16(20)21/h1-9,19H,(H,20,21)
InChIKeyISFXAZJAPYRFMC-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.87
Rot. Bonds4

About 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid

3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid (PubChem CID 39824436) has the molecular formula C16H11FN2O4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
PubChem CID39824436
Molecular FormulaC16H11FN2O4S
Molecular Weight346.34 g/mol
Exact Mass346.04
IUPAC Name3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c3ncccc23)c1
InChIInChI=1S/C16H11FN2O4S/c17-13-6-7-14(12-5-2-8-18-15(12)13)24(22,23)19-11-4-1-3-10(9-11)16(20)21/h1-9,19H,(H,20,21)
InChIKeyISFXAZJAPYRFMC-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

8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
CID 39824401
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide
CID 166184474
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzoic acid
CID 45407612
3-[[2,4-difluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 142738865
N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299384
8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
CID 31914993
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
CID 60534314

Frequently Asked Questions

What is the IUPAC name of 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid (CID 39824436) is 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c3ncccc23)c1.
What is the InChIKey of 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
The InChIKey is ISFXAZJAPYRFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S/c17-13-6-7-14(12-5-2-8-18-15(12)13)24(22,23)19-11-4-1-3-10(9-11)16(20)21/h1-9,19H,(H,20,21).
What are the key properties of 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid?
3-[(8-fluoroquinolin-5-yl)sulfonylamino]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 3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 39824436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).