4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

C11H8ClFN2O2S — CID 104821539

IUPAC4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClFN2O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H,14,15)
InChIKeyUWPONFSNRVLPLW-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide

4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 104821539) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID104821539
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.72 g/mol
Exact Mass286.00
IUPAC Name4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClFN2O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H,14,15)
InChIKeyUWPONFSNRVLPLW-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
5-fluoro-N-(6-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 113457005
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 104821583
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 116812709
N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 82343421
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide (CID 104821539) is 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cccc(F)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is UWPONFSNRVLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H,14,15).
What are the key properties of 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide?
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 286.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 104821539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).