oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate

C24H21FO7S — CID 148698713

IUPACoxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate
SMILESO=C(OC1CCOC1)c1ccc(CS(=O)(=O)c2cccc(-c3cc(F)ccc3O)c2)cc1O
InChIInChI=1S/C24H21FO7S/c25-17-5-7-22(26)21(12-17)16-2-1-3-19(11-16)33(29,30)14-15-4-6-20(23(27)10-15)24(28)32-18-8-9-31-13-18/h1-7,10-12,18,26-27H,8-9,13-14H2
InChIKeyNUYBHFQHBDDZFM-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.82
Rot. Bonds6

About oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate

oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate (PubChem CID 148698713) has the molecular formula C24H21FO7S and a molecular weight of 472.49 g/mol. Its IUPAC name is oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate
PubChem CID148698713
Molecular FormulaC24H21FO7S
Molecular Weight472.49 g/mol
Exact Mass472.10
IUPAC Nameoxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate
SMILESO=C(OC1CCOC1)c1ccc(CS(=O)(=O)c2cccc(-c3cc(F)ccc3O)c2)cc1O
InChIInChI=1S/C24H21FO7S/c25-17-5-7-22(26)21(12-17)16-2-1-3-19(11-16)33(29,30)14-15-4-6-20(23(27)10-15)24(28)32-18-8-9-31-13-18/h1-7,10-12,18,26-27H,8-9,13-14H2
InChIKeyNUYBHFQHBDDZFM-UHFFFAOYSA-N
XLogP3.82
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate?
The IUPAC name of oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate (CID 148698713) is oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate.
What is the SMILES notation for oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate?
The canonical SMILES for oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate is O=C(OC1CCOC1)c1ccc(CS(=O)(=O)c2cccc(-c3cc(F)ccc3O)c2)cc1O.
What is the InChIKey of oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate?
The InChIKey is NUYBHFQHBDDZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO7S/c25-17-5-7-22(26)21(12-17)16-2-1-3-19(11-16)33(29,30)14-15-4-6-20(23(27)10-15)24(28)32-18-8-9-31-13-18/h1-7,10-12,18,26-27H,8-9,13-14H2.
What are the key properties of oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate?
oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate has a molecular weight of 472.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate is sourced from PubChem (CID 148698713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).