5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide

C11H9BrFN3O2S — CID 116529293

IUPAC5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccnc2)c(F)cc1Br
InChIInChI=1S/C11H9BrFN3O2S/c12-8-4-9(13)11(5-10(8)14)19(17,18)16-7-2-1-3-15-6-7/h1-6,16H,14H2
InChIKeyOKOYEIGPZVGZRP-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.37
Rot. Bonds3

About 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide

5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 116529293) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID116529293
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC Name5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccnc2)c(F)cc1Br
InChIInChI=1S/C11H9BrFN3O2S/c12-8-4-9(13)11(5-10(8)14)19(17,18)16-7-2-1-3-15-6-7/h1-6,16H,14H2
InChIKeyOKOYEIGPZVGZRP-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
5-amino-2-bromo-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587514
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
5-amino-4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 116529549
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide (CID 116529293) is 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cccnc2)c(F)cc1Br.
What is the InChIKey of 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OKOYEIGPZVGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-8-4-9(13)11(5-10(8)14)19(17,18)16-7-2-1-3-15-6-7/h1-6,16H,14H2.
What are the key properties of 5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide?
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 346.18 g/mol, XLogP of 2.37, 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-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116529293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).