5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide

C12H10Br2FN3O2S — CID 79042026

IUPAC5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(N)cc(Br)c2F)ccc1Br
InChIInChI=1S/C12H10Br2FN3O2S/c1-6-8(13)2-3-11(17-6)18-21(19,20)10-5-7(16)4-9(14)12(10)15/h2-5H,16H2,1H3,(H,17,18)
InChIKeyARWILXJWBRISHT-UHFFFAOYSA-N
MW439.10 g/mol
LogP3.44
Rot. Bonds3

About 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide

5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 79042026) has the molecular formula C12H10Br2FN3O2S and a molecular weight of 439.10 g/mol. Its IUPAC name is 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID79042026
Molecular FormulaC12H10Br2FN3O2S
Molecular Weight439.10 g/mol
Exact Mass436.88
IUPAC Name5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(N)cc(Br)c2F)ccc1Br
InChIInChI=1S/C12H10Br2FN3O2S/c1-6-8(13)2-3-11(17-6)18-21(19,20)10-5-7(16)4-9(14)12(10)15/h2-5H,16H2,1H3,(H,17,18)
InChIKeyARWILXJWBRISHT-UHFFFAOYSA-N
XLogP3.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.10
LogP ≤ 53.44
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

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
CID 79048558
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79041139
N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79041116
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-sulfonamide
CID 79048219

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide (CID 79042026) is 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(N)cc(Br)c2F)ccc1Br.
What is the InChIKey of 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is ARWILXJWBRISHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FN3O2S/c1-6-8(13)2-3-11(17-6)18-21(19,20)10-5-7(16)4-9(14)12(10)15/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 439.10 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79042026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).