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

C13H13FN2O3S — CID 103299090

IUPACN-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H13FN2O3S/c1-2-19-12-8-4-3-7-11(12)16-20(17,18)13-10(14)6-5-9-15-13/h3-9,16H,2H2,1H3
InChIKeyBEECYYQLFFDCCQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.42
Rot. Bonds5

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

N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299090) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299090
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC NameN-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H13FN2O3S/c1-2-19-12-8-4-3-7-11(12)16-20(17,18)13-10(14)6-5-9-15-13/h3-9,16H,2H2,1H3
InChIKeyBEECYYQLFFDCCQ-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299319
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-ethoxy-2-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299321
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299092
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(2,4-difluorophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304014
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163
2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide
CID 103308681
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide (CID 103299090) is N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is BEECYYQLFFDCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-2-19-12-8-4-3-7-11(12)16-20(17,18)13-10(14)6-5-9-15-13/h3-9,16H,2H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide?
N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).