4-(4-hydroxybutyl)benzenesulfonamide

C10H15NO3S — CID 15707361

IUPAC4-(4-hydroxybutyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCCO)cc1
InChIInChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
InChIKeyNCRQTZXHMKBWLU-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.65
Rot. Bonds5

About 4-(4-hydroxybutyl)benzenesulfonamide

4-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 15707361) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybutyl)benzenesulfonamide
PubChem CID15707361
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-(4-hydroxybutyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCCO)cc1
InChIInChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
InChIKeyNCRQTZXHMKBWLU-UHFFFAOYSA-N
XLogP0.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxybutyl)benzenesulfonamide 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-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 4-(4-hydroxybutyl)benzenesulfonamide (CID 15707361) is 4-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydroxybutyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CCCCO)cc1.
What is the InChIKey of 4-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is NCRQTZXHMKBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14).
What are the key properties of 4-(4-hydroxybutyl)benzenesulfonamide?
4-(4-hydroxybutyl)benzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 15707361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).