6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide

C13H12ClFN2O3S — CID 61045709

IUPAC6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
SMILESCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H12ClFN2O3S/c1-2-20-12-7-9(15)3-5-11(12)17-21(18,19)10-4-6-13(14)16-8-10/h3-8,17H,2H2,1H3
InChIKeyKNMMNUPFLLZZFS-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.07
Rot. Bonds5

About 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide

6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide (PubChem CID 61045709) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
PubChem CID61045709
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
SMILESCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H12ClFN2O3S/c1-2-20-12-7-9(15)3-5-11(12)17-21(18,19)10-4-6-13(14)16-8-10/h3-8,17H,2H2,1H3
InChIKeyKNMMNUPFLLZZFS-UHFFFAOYSA-N
XLogP3.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-sulfonamide
CID 115588666
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256
2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258
6-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 82890177
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 47104374
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 47784339
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide (CID 61045709) is 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide is CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide?
The InChIKey is KNMMNUPFLLZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-2-20-12-7-9(15)3-5-11(12)17-21(18,19)10-4-6-13(14)16-8-10/h3-8,17H,2H2,1H3.
What are the key properties of 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide?
6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide has a molecular weight of 330.77 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61045709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).