5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide

C11H8Br2FN3O2S — CID 116530437

IUPAC5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ncccc2Br)c(F)cc1Br
InChIInChI=1S/C11H8Br2FN3O2S/c12-6-2-1-3-16-11(6)17-20(18,19)10-5-9(15)7(13)4-8(10)14/h1-5H,15H2,(H,16,17)
InChIKeyZBARGQXTCWEENZ-UHFFFAOYSA-N
MW425.08 g/mol
LogP3.13
Rot. Bonds3

About 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide

5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 116530437) has the molecular formula C11H8Br2FN3O2S and a molecular weight of 425.08 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID116530437
Molecular FormulaC11H8Br2FN3O2S
Molecular Weight425.08 g/mol
Exact Mass422.87
IUPAC Name5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ncccc2Br)c(F)cc1Br
InChIInChI=1S/C11H8Br2FN3O2S/c12-6-2-1-3-16-11(6)17-20(18,19)10-5-9(15)7(13)4-8(10)14/h1-5H,15H2,(H,16,17)
InChIKeyZBARGQXTCWEENZ-UHFFFAOYSA-N
XLogP3.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.08
LogP ≤ 53.13
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

4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 82843664
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
5-amino-4-bromo-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 116530328
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
5-amino-4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 116529549
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 2809182
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide (CID 116530437) is 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ncccc2Br)c(F)cc1Br.
What is the InChIKey of 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZBARGQXTCWEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FN3O2S/c12-6-2-1-3-16-11(6)17-20(18,19)10-5-9(15)7(13)4-8(10)14/h1-5H,15H2,(H,16,17).
What are the key properties of 5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide?
5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 425.08 g/mol, XLogP of 3.13, 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-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116530437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).