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

C11H8BrF2N3O2S — CID 116812605

IUPAC5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccc(F)n2)c(F)cc1Br
InChIInChI=1S/C11H8BrF2N3O2S/c12-6-4-7(13)9(5-8(6)15)20(18,19)17-11-3-1-2-10(14)16-11/h1-5H,15H2,(H,16,17)
InChIKeyQJPGUIUPNVZCHY-UHFFFAOYSA-N
MW364.17 g/mol
LogP2.51
Rot. Bonds3

About 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 116812605) has the molecular formula C11H8BrF2N3O2S and a molecular weight of 364.17 g/mol. Its IUPAC name is 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID116812605
Molecular FormulaC11H8BrF2N3O2S
Molecular Weight364.17 g/mol
Exact Mass362.95
IUPAC Name5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccc(F)n2)c(F)cc1Br
InChIInChI=1S/C11H8BrF2N3O2S/c12-6-4-7(13)9(5-8(6)15)20(18,19)17-11-3-1-2-10(14)16-11/h1-5H,15H2,(H,16,17)
InChIKeyQJPGUIUPNVZCHY-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 52.51
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'}

Analyze 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
5-amino-4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 116529549
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
CID 155278636
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 2809182
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 116812605) is 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cccc(F)n2)c(F)cc1Br.
What is the InChIKey of 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is QJPGUIUPNVZCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O2S/c12-6-4-7(13)9(5-8(6)15)20(18,19)17-11-3-1-2-10(14)16-11/h1-5H,15H2,(H,16,17).
What are the key properties of 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 364.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 116812605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).