4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide

C8H19NO4S — CID 87703776

IUPAC4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCO)NCCCCO
InChIInChI=1S/C8H19NO4S/c10-6-2-1-5-9-14(12,13)8-4-3-7-11/h9-11H,1-8H2
InChIKeyXWOYNVPFDJTKFO-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.55
Rot. Bonds9

About 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide

4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide (PubChem CID 87703776) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide
PubChem CID87703776
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCO)NCCCCO
InChIInChI=1S/C8H19NO4S/c10-6-2-1-5-9-14(12,13)8-4-3-7-11/h9-11H,1-8H2
InChIKeyXWOYNVPFDJTKFO-UHFFFAOYSA-N
XLogP-0.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-(4-hydroxybutyl)butane-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 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide (CID 87703776) is 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide is O=S(=O)(CCCCO)NCCCCO.
What is the InChIKey of 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide?
The InChIKey is XWOYNVPFDJTKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c10-6-2-1-5-9-14(12,13)8-4-3-7-11/h9-11H,1-8H2.
What are the key properties of 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide?
4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxybutyl)butane-1-sulfonamide is sourced from PubChem (CID 87703776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).