5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline

C13H19FN2O2S — CID 43266287

IUPAC5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-10-5-3-4-8-16(10)19(17,18)11-6-7-12(14)13(15)9-11/h6-7,9-10H,2-5,8,15H2,1H3
InChIKeyOWLYATKVRATUAA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.36
Rot. Bonds3

About 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline

5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline (PubChem CID 43266287) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline
PubChem CID43266287
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-10-5-3-4-8-16(10)19(17,18)11-6-7-12(14)13(15)9-11/h6-7,9-10H,2-5,8,15H2,1H3
InChIKeyOWLYATKVRATUAA-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline (CID 43266287) is 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline is CCC1CCCCN1S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline?
The InChIKey is OWLYATKVRATUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-10-5-3-4-8-16(10)19(17,18)11-6-7-12(14)13(15)9-11/h6-7,9-10H,2-5,8,15H2,1H3.
What are the key properties of 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline?
5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline has a molecular weight of 286.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoroaniline is sourced from PubChem (CID 43266287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).