4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

C11H8Br2FN3O2S — CID 107594699

IUPAC4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2ccncc2F)c(Br)c1
InChIInChI=1S/C11H8Br2FN3O2S/c12-7-3-6(15)4-8(13)11(7)20(18,19)17-10-1-2-16-5-9(10)14/h1-5H,15H2,(H,16,17)
InChIKeyBWUMIDYVMJISEE-UHFFFAOYSA-N
MW425.08 g/mol
LogP3.13
Rot. Bonds3

About 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (PubChem CID 107594699) has the molecular formula C11H8Br2FN3O2S and a molecular weight of 425.08 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
PubChem CID107594699
Molecular FormulaC11H8Br2FN3O2S
Molecular Weight425.08 g/mol
Exact Mass422.87
IUPAC Name4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2ccncc2F)c(Br)c1
InChIInChI=1S/C11H8Br2FN3O2S/c12-7-3-6(15)4-8(13)11(7)20(18,19)17-10-1-2-16-5-9(10)14/h1-5H,15H2,(H,16,17)
InChIKeyBWUMIDYVMJISEE-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-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
CID 107595401
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (CID 107594699) is 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)Nc2ccncc2F)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The InChIKey is BWUMIDYVMJISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FN3O2S/c12-7-3-6(15)4-8(13)11(7)20(18,19)17-10-1-2-16-5-9(10)14/h1-5H,15H2,(H,16,17).
What are the key properties of 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide 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 4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107594699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).