N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide

C13H12ClFN2O3S — CID 103299319

IUPACN-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-2-20-12-6-5-9(14)8-11(12)17-21(18,19)13-10(15)4-3-7-16-13/h3-8,17H,2H2,1H3
InChIKeyZDZAWZZAGHZRPT-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.07
Rot. Bonds5

About N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide

N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299319) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299319
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-2-20-12-6-5-9(14)8-11(12)17-21(18,19)13-10(15)4-3-7-16-13/h3-8,17H,2H2,1H3
InChIKeyZDZAWZZAGHZRPT-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

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Related Compounds

N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299090
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(4-ethoxy-2-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299321
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103300294
N-(5-chloro-2-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303356
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(5-chloro-2-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300976

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide (CID 103299319) is N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide is CCOc1ccc(Cl)cc1NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is ZDZAWZZAGHZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-2-20-12-6-5-9(14)8-11(12)17-21(18,19)13-10(15)4-3-7-16-13/h3-8,17H,2H2,1H3.
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-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 N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).