5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol

C18H13FO5S — CID 101498559

IUPAC5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Oc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H13FO5S/c19-12-1-5-17(6-2-12)25(22,23)18-7-3-15(4-8-18)24-16-10-13(20)9-14(21)11-16/h1-11,20-21H
InChIKeyUDSJORDKSCCEOE-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.86
Rot. Bonds4

About 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol

5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol (PubChem CID 101498559) has the molecular formula C18H13FO5S and a molecular weight of 360.36 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol
PubChem CID101498559
Molecular FormulaC18H13FO5S
Molecular Weight360.36 g/mol
Exact Mass360.05
IUPAC Name5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Oc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H13FO5S/c19-12-1-5-17(6-2-12)25(22,23)18-7-3-15(4-8-18)24-16-10-13(20)9-14(21)11-16/h1-11,20-21H
InChIKeyUDSJORDKSCCEOE-UHFFFAOYSA-N
XLogP3.86
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
[4-[4-[[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648946
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
5-(4-chlorophenoxy)benzene-1,3-diol
CID 123195227
5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830586
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol?
The IUPAC name of 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol (CID 101498559) is 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol.
What is the SMILES notation for 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol?
The canonical SMILES for 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol is O=S(=O)(c1ccc(F)cc1)c1ccc(Oc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol?
The InChIKey is UDSJORDKSCCEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO5S/c19-12-1-5-17(6-2-12)25(22,23)18-7-3-15(4-8-18)24-16-10-13(20)9-14(21)11-16/h1-11,20-21H.
What are the key properties of 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol?
5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol has a molecular weight of 360.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol is sourced from PubChem (CID 101498559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).