5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid

C12H10FN3O4S — CID 103298604

IUPAC5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
SMILESNc1ccc(NS(=O)(=O)c2ncccc2F)c(C(=O)O)c1
InChIInChI=1S/C12H10FN3O4S/c13-9-2-1-5-15-11(9)21(19,20)16-10-4-3-7(14)6-8(10)12(17)18/h1-6,16H,14H2,(H,17,18)
InChIKeyYBHYSGFIIANZFX-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.30
Rot. Bonds4

About 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid

5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 103298604) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
PubChem CID103298604
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
SMILESNc1ccc(NS(=O)(=O)c2ncccc2F)c(C(=O)O)c1
InChIInChI=1S/C12H10FN3O4S/c13-9-2-1-5-15-11(9)21(19,20)16-10-4-3-7(14)6-8(10)12(17)18/h1-6,16H,14H2,(H,17,18)
InChIKeyYBHYSGFIIANZFX-UHFFFAOYSA-N
XLogP1.30
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103298579
2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298758
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756
4-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-2-carboxylic acid
CID 103298797
5-amino-2-(sulfamoylamino)benzoic acid
CID 114958710
2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide
CID 103308681
N-(3-amino-4-pyridinyl)-3-fluoropyridine-2-sulfonamide
CID 103298603

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid (CID 103298604) is 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid is Nc1ccc(NS(=O)(=O)c2ncccc2F)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is YBHYSGFIIANZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-9-2-1-5-15-11(9)21(19,20)16-10-4-3-7(14)6-8(10)12(17)18/h1-6,16H,14H2,(H,17,18).
What are the key properties of 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 311.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).