N-(3-phenylpropyl)ethanesulfonamide

C11H17NO2S — CID 2167095

IUPACN-(3-phenylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C11H17NO2S/c1-2-15(13,14)12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyCWDAKJMNNRSCKR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.56
Rot. Bonds6

About N-(3-phenylpropyl)ethanesulfonamide

N-(3-phenylpropyl)ethanesulfonamide (PubChem CID 2167095) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-phenylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)ethanesulfonamide
PubChem CID2167095
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(3-phenylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C11H17NO2S/c1-2-15(13,14)12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyCWDAKJMNNRSCKR-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-phenylpropyl)ethanesulfonamide 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 N-(3-phenylpropyl)ethanesulfonamide?
The IUPAC name of N-(3-phenylpropyl)ethanesulfonamide (CID 2167095) is N-(3-phenylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-phenylpropyl)ethanesulfonamide?
The canonical SMILES for N-(3-phenylpropyl)ethanesulfonamide is CCS(=O)(=O)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)ethanesulfonamide?
The InChIKey is CWDAKJMNNRSCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-15(13,14)12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3.
What are the key properties of N-(3-phenylpropyl)ethanesulfonamide?
N-(3-phenylpropyl)ethanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)ethanesulfonamide is sourced from PubChem (CID 2167095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).