5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride

C18H21FO3S — CID 25017347

IUPAC5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H21FO3S/c19-23(20,21)14-8-2-5-11-17-12-6-7-13-18(17)22-15-16-9-3-1-4-10-16/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2
InChIKeyLSUVOQMRMHLNII-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.28
Rot. Bonds9

About 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride

5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride (PubChem CID 25017347) has the molecular formula C18H21FO3S and a molecular weight of 336.43 g/mol. Its IUPAC name is 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride
PubChem CID25017347
Molecular FormulaC18H21FO3S
Molecular Weight336.43 g/mol
Exact Mass336.12
IUPAC Name5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H21FO3S/c19-23(20,21)14-8-2-5-11-17-12-6-7-13-18(17)22-15-16-9-3-1-4-10-16/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2
InChIKeyLSUVOQMRMHLNII-UHFFFAOYSA-N
XLogP4.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2-phenylmethoxyphenyl)heptane-1-sulfonyl chloride
CID 25017342
3-oxo-6-(2-phenylmethoxyphenyl)hexanoic acid
CID 70435741
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
5-[3-(2-phenylmethoxyphenyl)propyl]thiophene-2-carboxylic acid
CID 67764114
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
CID 123524365
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
CID 18973803
3-bromo-2-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid
CID 67659367
(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
CID 173039005
1-[5-(benzenesulfonyl)pentyl]-4-phenylmethoxybenzene;ethane
CID 155721797
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
3-(benzenesulfonamido)-2-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid
CID 67659831

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride?
The IUPAC name of 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride (CID 25017347) is 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride.
What is the SMILES notation for 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride?
The canonical SMILES for 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCc1ccccc1OCc1ccccc1.
What is the InChIKey of 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride?
The InChIKey is LSUVOQMRMHLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3S/c19-23(20,21)14-8-2-5-11-17-12-6-7-13-18(17)22-15-16-9-3-1-4-10-16/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2.
What are the key properties of 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride?
5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride has a molecular weight of 336.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylmethoxyphenyl)pentane-1-sulfonyl fluoride is sourced from PubChem (CID 25017347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).