4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide

C11H7BrF2N2O2S — CID 2809182

IUPAC4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cc(F)c(Br)cc1F
InChIInChI=1S/C11H7BrF2N2O2S/c12-7-5-9(14)10(6-8(7)13)19(17,18)16-11-3-1-2-4-15-11/h1-6H,(H,15,16)
InChIKeyQWIXBFTTYMHEPN-UHFFFAOYSA-N
MW349.16 g/mol
LogP2.92
Rot. Bonds3

About 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide

4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 2809182) has the molecular formula C11H7BrF2N2O2S and a molecular weight of 349.16 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID2809182
Molecular FormulaC11H7BrF2N2O2S
Molecular Weight349.16 g/mol
Exact Mass347.94
IUPAC Name4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cc(F)c(Br)cc1F
InChIInChI=1S/C11H7BrF2N2O2S/c12-7-5-9(14)10(6-8(7)13)19(17,18)16-11-3-1-2-4-15-11/h1-6H,(H,15,16)
InChIKeyQWIXBFTTYMHEPN-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2809184
5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
CID 103050176
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide (CID 2809182) is 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is QWIXBFTTYMHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2S/c12-7-5-9(14)10(6-8(7)13)19(17,18)16-11-3-1-2-4-15-11/h1-6H,(H,15,16).
What are the key properties of 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide?
4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 349.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2809182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).