5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide

C12H10BrFN2O3S — CID 104821613

IUPAC5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C12H10BrFN2O3S/c1-19-9-6-5-8(13)7-10(9)20(17,18)16-12-4-2-3-11(14)15-12/h2-7H,1H3,(H,15,16)
InChIKeyNPCGSSWBJJNLPV-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.79
Rot. Bonds4

About 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide

5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 104821613) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID104821613
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C12H10BrFN2O3S/c1-19-9-6-5-8(13)7-10(9)20(17,18)16-12-4-2-3-11(14)15-12/h2-7H,1H3,(H,15,16)
InChIKeyNPCGSSWBJJNLPV-UHFFFAOYSA-N
XLogP2.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide (CID 104821613) is 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is NPCGSSWBJJNLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c1-19-9-6-5-8(13)7-10(9)20(17,18)16-12-4-2-3-11(14)15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 104821613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).