3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide

C13H19NO4S — CID 65015045

IUPAC3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
SMILESNS(=O)(=O)CC(COC1CCOC1)c1ccccc1
InChIInChI=1S/C13H19NO4S/c14-19(15,16)10-12(11-4-2-1-3-5-11)8-18-13-6-7-17-9-13/h1-5,12-13H,6-10H2,(H2,14,15,16)
InChIKeyFZRVNYKTCRNWHH-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.86
Rot. Bonds6

About 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide

3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide (PubChem CID 65015045) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
PubChem CID65015045
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
SMILESNS(=O)(=O)CC(COC1CCOC1)c1ccccc1
InChIInChI=1S/C13H19NO4S/c14-19(15,16)10-12(11-4-2-1-3-5-11)8-18-13-6-7-17-9-13/h1-5,12-13H,6-10H2,(H2,14,15,16)
InChIKeyFZRVNYKTCRNWHH-UHFFFAOYSA-N
XLogP0.86
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide 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 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide?
The IUPAC name of 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide (CID 65015045) is 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide is NS(=O)(=O)CC(COC1CCOC1)c1ccccc1.
What is the InChIKey of 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide?
The InChIKey is FZRVNYKTCRNWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c14-19(15,16)10-12(11-4-2-1-3-5-11)8-18-13-6-7-17-9-13/h1-5,12-13H,6-10H2,(H2,14,15,16).
What are the key properties of 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide?
3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide has a molecular weight of 285.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 65015045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).