2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline

C13H19FN2O2S — CID 43584109

IUPAC2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline
SMILESCCC1CCCN(S(=O)(=O)c2ccc(F)cc2N)C1
InChIInChI=1S/C13H19FN2O2S/c1-2-10-4-3-7-16(9-10)19(17,18)13-6-5-11(14)8-12(13)15/h5-6,8,10H,2-4,7,9,15H2,1H3
InChIKeyWVXUDWOZXMRNDK-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.22
Rot. Bonds3

About 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline

2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline (PubChem CID 43584109) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline
PubChem CID43584109
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline
SMILESCCC1CCCN(S(=O)(=O)c2ccc(F)cc2N)C1
InChIInChI=1S/C13H19FN2O2S/c1-2-10-4-3-7-16(9-10)19(17,18)13-6-5-11(14)8-12(13)15/h5-6,8,10H,2-4,7,9,15H2,1H3
InChIKeyWVXUDWOZXMRNDK-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-ethylpiperidin-1-yl)sulfonyl-5-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 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline (CID 43584109) is 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline is CCC1CCCN(S(=O)(=O)c2ccc(F)cc2N)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline?
The InChIKey is WVXUDWOZXMRNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-10-4-3-7-16(9-10)19(17,18)13-6-5-11(14)8-12(13)15/h5-6,8,10H,2-4,7,9,15H2,1H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline?
2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline has a molecular weight of 286.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline is sourced from PubChem (CID 43584109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).