4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid

C12H9FN2O4S — CID 56828319

IUPAC4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C12H9FN2O4S/c13-9-5-11(7-14-6-9)20(18,19)15-10-3-1-8(2-4-10)12(16)17/h1-7,15H,(H,16,17)
InChIKeyFYWPQUYJIBXGPD-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.72
Rot. Bonds4

About 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid

4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 56828319) has the molecular formula C12H9FN2O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
PubChem CID56828319
Molecular FormulaC12H9FN2O4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C12H9FN2O4S/c13-9-5-11(7-14-6-9)20(18,19)15-10-3-1-8(2-4-10)12(16)17/h1-7,15H,(H,16,17)
InChIKeyFYWPQUYJIBXGPD-UHFFFAOYSA-N
XLogP1.72
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-sulfonamide
CID 114296376
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324371
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide
CID 103580466
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
CID 65436899

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid (CID 56828319) is 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is FYWPQUYJIBXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4S/c13-9-5-11(7-14-6-9)20(18,19)15-10-3-1-8(2-4-10)12(16)17/h1-7,15H,(H,16,17).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 56828319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).