4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

C11H9F2N3O2S — CID 116812616

IUPAC4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc(F)n2)c(F)c1
InChIInChI=1S/C11H9F2N3O2S/c12-8-6-7(14)4-5-9(8)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16)
InChIKeyBINYWKPHVSLFAJ-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 116812616) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID116812616
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc(F)n2)c(F)c1
InChIInChI=1S/C11H9F2N3O2S/c12-8-6-7(14)4-5-9(8)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16)
InChIKeyBINYWKPHVSLFAJ-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
CID 155278636
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 116812616) is 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccc(F)n2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is BINYWKPHVSLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-8-6-7(14)4-5-9(8)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 285.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 116812616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).