N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide

C6H5BrF2N2O2S — CID 43520628

IUPACN-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)n1)C(F)F
InChIInChI=1S/C6H5BrF2N2O2S/c7-4-2-1-3-5(10-4)11-14(12,13)6(8)9/h1-3,6H,(H,10,11)
InChIKeyLIUZCUUCXNPCPP-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.81
Rot. Bonds3

About N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide

N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide (PubChem CID 43520628) has the molecular formula C6H5BrF2N2O2S and a molecular weight of 287.09 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide
PubChem CID43520628
Molecular FormulaC6H5BrF2N2O2S
Molecular Weight287.09 g/mol
Exact Mass285.92
IUPAC NameN-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)n1)C(F)F
InChIInChI=1S/C6H5BrF2N2O2S/c7-4-2-1-3-5(10-4)11-14(12,13)6(8)9/h1-3,6H,(H,10,11)
InChIKeyLIUZCUUCXNPCPP-UHFFFAOYSA-N
XLogP1.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide (CID 43520628) is N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1cccc(Br)n1)C(F)F.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide?
The InChIKey is LIUZCUUCXNPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O2S/c7-4-2-1-3-5(10-4)11-14(12,13)6(8)9/h1-3,6H,(H,10,11).
What are the key properties of N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide?
N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide has a molecular weight of 287.09 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43520628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).