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

C11H9BrFN3O2S — CID 116812591

IUPAC5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2cccc(F)n2)c1
InChIInChI=1S/C11H9BrFN3O2S/c12-8-5-4-7(14)6-9(8)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16)
InChIKeyRFZLGDQDDILYJE-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.37
Rot. Bonds3

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

5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 116812591) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID116812591
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC Name5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2cccc(F)n2)c1
InChIInChI=1S/C11H9BrFN3O2S/c12-8-5-4-7(14)6-9(8)19(17,18)16-11-3-1-2-10(13)15-11/h1-6H,14H2,(H,15,16)
InChIKeyRFZLGDQDDILYJE-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 116812591) is 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)Nc2cccc(F)n2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is RFZLGDQDDILYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-8-5-4-7(14)6-9(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 5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide 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-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 116812591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).