2-(2-hydroxyethoxy)ethanesulfonamide

C4H11NO4S — CID 146155567

IUPAC2-(2-hydroxyethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOCCO
InChIInChI=1S/C4H11NO4S/c5-10(7,8)4-3-9-2-1-6/h6H,1-4H2,(H2,5,7,8)
InChIKeyKLZCTQPPDHPISQ-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.72
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethanesulfonamide

2-(2-hydroxyethoxy)ethanesulfonamide (PubChem CID 146155567) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanesulfonamide
PubChem CID146155567
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name2-(2-hydroxyethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOCCO
InChIInChI=1S/C4H11NO4S/c5-10(7,8)4-3-9-2-1-6/h6H,1-4H2,(H2,5,7,8)
InChIKeyKLZCTQPPDHPISQ-UHFFFAOYSA-N
XLogP-1.72
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)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 2-(2-hydroxyethoxy)ethanesulfonamide?
The IUPAC name of 2-(2-hydroxyethoxy)ethanesulfonamide (CID 146155567) is 2-(2-hydroxyethoxy)ethanesulfonamide.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanesulfonamide?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanesulfonamide is NS(=O)(=O)CCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanesulfonamide?
The InChIKey is KLZCTQPPDHPISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S/c5-10(7,8)4-3-9-2-1-6/h6H,1-4H2,(H2,5,7,8).
What are the key properties of 2-(2-hydroxyethoxy)ethanesulfonamide?
2-(2-hydroxyethoxy)ethanesulfonamide has a molecular weight of 169.20 g/mol, XLogP of -1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanesulfonamide is sourced from PubChem (CID 146155567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).