2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide

C13H14FN3O3S — CID 65482643

IUPAC2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C13H14FN3O3S/c14-10-5-6-13(16-9-10)17-21(18,19)8-7-20-12-4-2-1-3-11(12)15/h1-6,9H,7-8,15H2,(H,16,17)
InChIKeyCUBCMHKCAKYXNB-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide

2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide (PubChem CID 65482643) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
PubChem CID65482643
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C13H14FN3O3S/c14-10-5-6-13(16-9-10)17-21(18,19)8-7-20-12-4-2-1-3-11(12)15/h1-6,9H,7-8,15H2,(H,16,17)
InChIKeyCUBCMHKCAKYXNB-UHFFFAOYSA-N
XLogP1.62
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide (CID 65482643) is 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide is Nc1ccccc1OCCS(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The InChIKey is CUBCMHKCAKYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c14-10-5-6-13(16-9-10)17-21(18,19)8-7-20-12-4-2-1-3-11(12)15/h1-6,9H,7-8,15H2,(H,16,17).
What are the key properties of 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 65482643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).