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

C9H14FN3O3S — CID 112751598

IUPAC2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
SMILESNCCOCCS(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C9H14FN3O3S/c10-8-1-2-9(12-7-8)13-17(14,15)6-5-16-4-3-11/h1-2,7H,3-6,11H2,(H,12,13)
InChIKeyQZTDLKNEANCZRW-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.06
Rot. Bonds7

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

2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide (PubChem CID 112751598) has the molecular formula C9H14FN3O3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
PubChem CID112751598
Molecular FormulaC9H14FN3O3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
SMILESNCCOCCS(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C9H14FN3O3S/c10-8-1-2-9(12-7-8)13-17(14,15)6-5-16-4-3-11/h1-2,7H,3-6,11H2,(H,12,13)
InChIKeyQZTDLKNEANCZRW-UHFFFAOYSA-N
XLogP-0.06
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65481850
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 65482643
3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65482273
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
CID 106308279
2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
CID 94689042
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide (CID 112751598) is 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide is NCCOCCS(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The InChIKey is QZTDLKNEANCZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O3S/c10-8-1-2-9(12-7-8)13-17(14,15)6-5-16-4-3-11/h1-2,7H,3-6,11H2,(H,12,13).
What are the key properties of 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide has a molecular weight of 263.29 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 112751598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).