5-phenylpentane-1-sulfonyl fluoride

C11H15FO2S — CID 71453862

IUPAC5-phenylpentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCc1ccccc1
InChIInChI=1S/C11H15FO2S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyDNGYIYARJJINLZ-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.70
Rot. Bonds6

About 5-phenylpentane-1-sulfonyl fluoride

5-phenylpentane-1-sulfonyl fluoride (PubChem CID 71453862) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is 5-phenylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name5-phenylpentane-1-sulfonyl fluoride
PubChem CID71453862
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name5-phenylpentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCc1ccccc1
InChIInChI=1S/C11H15FO2S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyDNGYIYARJJINLZ-UHFFFAOYSA-N
XLogP2.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylpentane-1-sulfonyl fluoride?
The IUPAC name of 5-phenylpentane-1-sulfonyl fluoride (CID 71453862) is 5-phenylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 5-phenylpentane-1-sulfonyl fluoride?
The canonical SMILES for 5-phenylpentane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentane-1-sulfonyl fluoride?
The InChIKey is DNGYIYARJJINLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 5-phenylpentane-1-sulfonyl fluoride?
5-phenylpentane-1-sulfonyl fluoride has a molecular weight of 230.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 71453862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).