7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride

C13H19FO3S — CID 23725185

IUPAC7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCc1ccccc1O
InChIInChI=1S/C13H19FO3S/c14-18(16,17)11-7-3-1-2-4-8-12-9-5-6-10-13(12)15/h5-6,9-10,15H,1-4,7-8,11H2
InChIKeyPBWDFIOEUOQKKZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.18
Rot. Bonds8

About 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride

7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride (PubChem CID 23725185) has the molecular formula C13H19FO3S and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride.

Molecular Properties

Compound Name7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride
PubChem CID23725185
Molecular FormulaC13H19FO3S
Molecular Weight274.36 g/mol
Exact Mass274.10
IUPAC Name7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCc1ccccc1O
InChIInChI=1S/C13H19FO3S/c14-18(16,17)11-7-3-1-2-4-8-12-9-5-6-10-13(12)15/h5-6,9-10,15H,1-4,7-8,11H2
InChIKeyPBWDFIOEUOQKKZ-UHFFFAOYSA-N
XLogP3.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
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 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride?
The IUPAC name of 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride (CID 23725185) is 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride.
What is the SMILES notation for 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride?
The canonical SMILES for 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCCCc1ccccc1O.
What is the InChIKey of 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride?
The InChIKey is PBWDFIOEUOQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3S/c14-18(16,17)11-7-3-1-2-4-8-12-9-5-6-10-13(12)15/h5-6,9-10,15H,1-4,7-8,11H2.
What are the key properties of 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride?
7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride has a molecular weight of 274.36 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyphenyl)heptane-1-sulfonyl fluoride is sourced from PubChem (CID 23725185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).