5-(benzenesulfonyl)pentan-1-ol

C11H16O3S — CID 14721875

IUPAC5-(benzenesulfonyl)pentan-1-ol
SMILESO=S(=O)(CCCCCO)c1ccccc1
InChIInChI=1S/C11H16O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyKIPPMPUQUFFWGZ-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.62
Rot. Bonds6

About 5-(benzenesulfonyl)pentan-1-ol

5-(benzenesulfonyl)pentan-1-ol (PubChem CID 14721875) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 5-(benzenesulfonyl)pentan-1-ol.

Molecular Properties

Compound Name5-(benzenesulfonyl)pentan-1-ol
PubChem CID14721875
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name5-(benzenesulfonyl)pentan-1-ol
SMILESO=S(=O)(CCCCCO)c1ccccc1
InChIInChI=1S/C11H16O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyKIPPMPUQUFFWGZ-UHFFFAOYSA-N
XLogP1.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)pentan-1-ol?
The IUPAC name of 5-(benzenesulfonyl)pentan-1-ol (CID 14721875) is 5-(benzenesulfonyl)pentan-1-ol.
What is the SMILES notation for 5-(benzenesulfonyl)pentan-1-ol?
The canonical SMILES for 5-(benzenesulfonyl)pentan-1-ol is O=S(=O)(CCCCCO)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)pentan-1-ol?
The InChIKey is KIPPMPUQUFFWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 5-(benzenesulfonyl)pentan-1-ol?
5-(benzenesulfonyl)pentan-1-ol has a molecular weight of 228.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)pentan-1-ol is sourced from PubChem (CID 14721875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).