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

C12H11BrFN3O2S — CID 79048558

IUPAC2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(F)ccc2N)ccc1Br
InChIInChI=1S/C12H11BrFN3O2S/c1-7-9(13)3-5-12(16-7)17-20(18,19)11-6-8(14)2-4-10(11)15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyMJZMCPLTCZHFIZ-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.67
Rot. Bonds3

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

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide (PubChem CID 79048558) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
PubChem CID79048558
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(F)ccc2N)ccc1Br
InChIInChI=1S/C12H11BrFN3O2S/c1-7-9(13)3-5-12(16-7)17-20(18,19)11-6-8(14)2-4-10(11)15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyMJZMCPLTCZHFIZ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide (CID 79048558) is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(F)ccc2N)ccc1Br.
What is the InChIKey of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
The InChIKey is MJZMCPLTCZHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c1-7-9(13)3-5-12(16-7)17-20(18,19)11-6-8(14)2-4-10(11)15/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-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 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 79048558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).