N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide

C11H8BrFN2O2S — CID 66671708

IUPACN-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cncc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C11H8BrFN2O2S/c12-8-5-10(7-14-6-8)15-18(16,17)11-3-1-9(13)2-4-11/h1-7,15H
InChIKeyIZFKGZOSLJFEEJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.78
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide

N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 66671708) has the molecular formula C11H8BrFN2O2S and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID66671708
Molecular FormulaC11H8BrFN2O2S
Molecular Weight331.17 g/mol
Exact Mass329.95
IUPAC NameN-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cncc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C11H8BrFN2O2S/c12-8-5-10(7-14-6-8)15-18(16,17)11-3-1-9(13)2-4-11/h1-7,15H
InChIKeyIZFKGZOSLJFEEJ-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 66671708) is N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cncc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is IZFKGZOSLJFEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2S/c12-8-5-10(7-14-6-8)15-18(16,17)11-3-1-9(13)2-4-11/h1-7,15H.
What are the key properties of N-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(5-bromo-3-pyridinyl)-4-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-(5-bromo-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 66671708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).