9-(benzenesulfonyl)nonan-1-ol

C15H24O3S — CID 11492947

IUPAC9-(benzenesulfonyl)nonan-1-ol
SMILESO=S(=O)(CCCCCCCCCO)c1ccccc1
InChIInChI=1S/C15H24O3S/c16-13-9-4-2-1-3-5-10-14-19(17,18)15-11-7-6-8-12-15/h6-8,11-12,16H,1-5,9-10,13-14H2
InChIKeyDUKNITDUQPKKEX-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.18
Rot. Bonds10

About 9-(benzenesulfonyl)nonan-1-ol

9-(benzenesulfonyl)nonan-1-ol (PubChem CID 11492947) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 9-(benzenesulfonyl)nonan-1-ol.

Molecular Properties

Compound Name9-(benzenesulfonyl)nonan-1-ol
PubChem CID11492947
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name9-(benzenesulfonyl)nonan-1-ol
SMILESO=S(=O)(CCCCCCCCCO)c1ccccc1
InChIInChI=1S/C15H24O3S/c16-13-9-4-2-1-3-5-10-14-19(17,18)15-11-7-6-8-12-15/h6-8,11-12,16H,1-5,9-10,13-14H2
InChIKeyDUKNITDUQPKKEX-UHFFFAOYSA-N
XLogP3.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.18
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 9-(benzenesulfonyl)nonan-1-ol?
The IUPAC name of 9-(benzenesulfonyl)nonan-1-ol (CID 11492947) is 9-(benzenesulfonyl)nonan-1-ol.
What is the SMILES notation for 9-(benzenesulfonyl)nonan-1-ol?
The canonical SMILES for 9-(benzenesulfonyl)nonan-1-ol is O=S(=O)(CCCCCCCCCO)c1ccccc1.
What is the InChIKey of 9-(benzenesulfonyl)nonan-1-ol?
The InChIKey is DUKNITDUQPKKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c16-13-9-4-2-1-3-5-10-14-19(17,18)15-11-7-6-8-12-15/h6-8,11-12,16H,1-5,9-10,13-14H2.
What are the key properties of 9-(benzenesulfonyl)nonan-1-ol?
9-(benzenesulfonyl)nonan-1-ol has a molecular weight of 284.42 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)nonan-1-ol is sourced from PubChem (CID 11492947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).