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

C12H11BrFN3O2S — CID 79733311

IUPAC5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)ccc2F)ncc1Br
InChIInChI=1S/C12H11BrFN3O2S/c1-7-4-12(16-6-9(7)13)17-20(18,19)11-5-8(15)2-3-10(11)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyZNLYKYANQFDIHW-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.67
Rot. Bonds3

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

5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 79733311) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID79733311
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC Name5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)ccc2F)ncc1Br
InChIInChI=1S/C12H11BrFN3O2S/c1-7-4-12(16-6-9(7)13)17-20(18,19)11-5-8(15)2-3-10(11)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyZNLYKYANQFDIHW-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.67
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-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide (CID 79733311) is 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(N)ccc2F)ncc1Br.
What is the InChIKey of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZNLYKYANQFDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c1-7-4-12(16-6-9(7)13)17-20(18,19)11-5-8(15)2-3-10(11)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide?
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79733311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).