N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide

C11H8BrFN2O2S — CID 103775603

IUPACN-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1ccccc1F
InChIInChI=1S/C11H8BrFN2O2S/c12-11-6-5-8(7-14-11)15-18(16,17)10-4-2-1-3-9(10)13/h1-7,15H
InChIKeyWYTMBNKZJORPCS-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.78
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide

N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 103775603) has the molecular formula C11H8BrFN2O2S and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID103775603
Molecular FormulaC11H8BrFN2O2S
Molecular Weight331.17 g/mol
Exact Mass329.95
IUPAC NameN-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1ccccc1F
InChIInChI=1S/C11H8BrFN2O2S/c12-11-6-5-8(7-14-11)15-18(16,17)10-4-2-1-3-9(10)13/h1-7,15H
InChIKeyWYTMBNKZJORPCS-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-bromo-3-pyridinyl)sulfamoyl]-4-fluorobenzoic acid
CID 103777888
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
CID 91629172
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide (CID 103775603) is N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)nc1)c1ccccc1F.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is WYTMBNKZJORPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2S/c12-11-6-5-8(7-14-11)15-18(16,17)10-4-2-1-3-9(10)13/h1-7,15H.
What are the key properties of N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide?
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 331.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103775603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).