4-(3-piperidin-1-ylpropoxy)benzenesulfonamide

C14H22N2O3S — CID 70685675

IUPAC4-(3-piperidin-1-ylpropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c15-20(17,18)14-7-5-13(6-8-14)19-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2,(H2,15,17,18)
InChIKeyKBUGMQNMRSQRTJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds6

About 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide

4-(3-piperidin-1-ylpropoxy)benzenesulfonamide (PubChem CID 70685675) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropoxy)benzenesulfonamide
PubChem CID70685675
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(3-piperidin-1-ylpropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c15-20(17,18)14-7-5-13(6-8-14)19-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2,(H2,15,17,18)
InChIKeyKBUGMQNMRSQRTJ-UHFFFAOYSA-N
XLogP1.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
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 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide?
The IUPAC name of 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide (CID 70685675) is 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide.
What is the SMILES notation for 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide?
The canonical SMILES for 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide?
The InChIKey is KBUGMQNMRSQRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-20(17,18)14-7-5-13(6-8-14)19-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2,(H2,15,17,18).
What are the key properties of 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide?
4-(3-piperidin-1-ylpropoxy)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropoxy)benzenesulfonamide is sourced from PubChem (CID 70685675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).