4-piperidin-4-ylsulfonylaniline

C11H16N2O2S — CID 67192184

IUPAC4-piperidin-4-ylsulfonylaniline
SMILESNc1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C11H16N2O2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8,12H2
InChIKeyDONJIYBWUVKULH-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.79
Rot. Bonds2

About 4-piperidin-4-ylsulfonylaniline

4-piperidin-4-ylsulfonylaniline (PubChem CID 67192184) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-piperidin-4-ylsulfonylaniline.

Molecular Properties

Compound Name4-piperidin-4-ylsulfonylaniline
PubChem CID67192184
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-piperidin-4-ylsulfonylaniline
SMILESNc1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C11H16N2O2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8,12H2
InChIKeyDONJIYBWUVKULH-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylsulfonylaniline?
The IUPAC name of 4-piperidin-4-ylsulfonylaniline (CID 67192184) is 4-piperidin-4-ylsulfonylaniline.
What is the SMILES notation for 4-piperidin-4-ylsulfonylaniline?
The canonical SMILES for 4-piperidin-4-ylsulfonylaniline is Nc1ccc(S(=O)(=O)C2CCNCC2)cc1.
What is the InChIKey of 4-piperidin-4-ylsulfonylaniline?
The InChIKey is DONJIYBWUVKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8,12H2.
What are the key properties of 4-piperidin-4-ylsulfonylaniline?
4-piperidin-4-ylsulfonylaniline has a molecular weight of 240.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylsulfonylaniline is sourced from PubChem (CID 67192184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).