5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid

C15H13FO6S — CID 54007123

IUPAC5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(OCCS(=O)(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C15H13FO6S/c16-10-1-4-12(5-2-10)23(20,21)8-7-22-11-3-6-14(17)13(9-11)15(18)19/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeyKPRHMXAWKJJORG-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.08
Rot. Bonds6

About 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid

5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid (PubChem CID 54007123) has the molecular formula C15H13FO6S and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
PubChem CID54007123
Molecular FormulaC15H13FO6S
Molecular Weight340.33 g/mol
Exact Mass340.04
IUPAC Name5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(OCCS(=O)(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C15H13FO6S/c16-10-1-4-12(5-2-10)23(20,21)8-7-22-11-3-6-14(17)13(9-11)15(18)19/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeyKPRHMXAWKJJORG-UHFFFAOYSA-N
XLogP2.08
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid
CID 19106295
2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
CID 54486276
5-[3-(4-chlorophenyl)sulfonylpropoxy]-2-hydroxybenzoic acid
CID 54039656
2-hydroxy-5-[18-(4-methylphenyl)sulfonyloctadecoxy]benzoic acid
CID 19105941
2-hydroxy-5-[3-(3-methylphenyl)sulfonylpropoxy]benzoic acid
CID 57033435
4-[3-(benzenesulfonyl)propoxy]-2-hydroxybenzoic acid
CID 23374955
4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
CID 39404405
4-[18-(benzenesulfonyl)octadecoxy]-2-hydroxybenzoic acid
CID 19105975
5-[(E)-4-(benzenesulfonyl)but-2-enoxy]-2-hydroxybenzoic acid
CID 67790087
2-hydroxy-4-[2-(3-methylphenyl)sulfonylethoxy]benzoic acid
CID 19106015
2-hydroxy-4-[4-(4-methylphenyl)sulfonylbutoxy]benzoic acid
CID 19105976
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid (CID 54007123) is 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid is O=C(O)c1cc(OCCS(=O)(=O)c2ccc(F)cc2)ccc1O.
What is the InChIKey of 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid?
The InChIKey is KPRHMXAWKJJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO6S/c16-10-1-4-12(5-2-10)23(20,21)8-7-22-11-3-6-14(17)13(9-11)15(18)19/h1-6,9,17H,7-8H2,(H,18,19).
What are the key properties of 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid?
5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid has a molecular weight of 340.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 54007123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).