2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine

C10H14FNO3S — CID 94689042

IUPAC2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
SMILESNCCOCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c11-9-1-3-10(4-2-9)16(13,14)8-7-15-6-5-12/h1-4H,5-8,12H2
InChIKeyRYLQIOSGXDLRCN-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine

2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine (PubChem CID 94689042) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
PubChem CID94689042
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
SMILESNCCOCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c11-9-1-3-10(4-2-9)16(13,14)8-7-15-6-5-12/h1-4H,5-8,12H2
InChIKeyRYLQIOSGXDLRCN-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine (CID 94689042) is 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine is NCCOCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine?
The InChIKey is RYLQIOSGXDLRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c11-9-1-3-10(4-2-9)16(13,14)8-7-15-6-5-12/h1-4H,5-8,12H2.
What are the key properties of 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine?
2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine has a molecular weight of 247.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine is sourced from PubChem (CID 94689042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).