3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide

C13H13FN2O3S — CID 175779140

IUPAC3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CCOc2ccc(F)cn2)c1
InChIInChI=1S/C13H13FN2O3S/c14-11-4-5-13(16-9-11)19-7-6-10-2-1-3-12(8-10)20(15,17)18/h1-5,8-9H,6-7H2,(H2,15,17,18)
InChIKeyBBNIZEQQVYYILN-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.49
Rot. Bonds5

About 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide

3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide (PubChem CID 175779140) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide
PubChem CID175779140
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CCOc2ccc(F)cn2)c1
InChIInChI=1S/C13H13FN2O3S/c14-11-4-5-13(16-9-11)19-7-6-10-2-1-3-12(8-10)20(15,17)18/h1-5,8-9H,6-7H2,(H2,15,17,18)
InChIKeyBBNIZEQQVYYILN-UHFFFAOYSA-N
XLogP1.49
TPSA82.28 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-fluorophenyl)ethoxy]pyridin-3-amine
CID 20535524
6-(2-phenoxyethoxy)pyridine-3-sulfonamide
CID 115928056
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
benzene-1,3-disulfonamide
CID 3090044
3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide
CID 70509811
6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 63978563
6-(2-fluoro-3-methylphenoxy)pyridine-3-sulfonamide
CID 107655560
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
2-chloro-6-[2-(3-fluorophenyl)ethoxy]pyridine
CID 86649742

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide?
The IUPAC name of 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide (CID 175779140) is 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CCOc2ccc(F)cn2)c1.
What is the InChIKey of 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide?
The InChIKey is BBNIZEQQVYYILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c14-11-4-5-13(16-9-11)19-7-6-10-2-1-3-12(8-10)20(15,17)18/h1-5,8-9H,6-7H2,(H2,15,17,18).
What are the key properties of 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide?
3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 175779140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).