2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid

C15H14O7S — CID 54486276

IUPAC2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
SMILESO=C(O)c1cc(OCCS(=O)(=O)c2cccc(O)c2)ccc1O
InChIInChI=1S/C15H14O7S/c16-10-2-1-3-12(8-10)23(20,21)7-6-22-11-4-5-14(17)13(9-11)15(18)19/h1-5,8-9,16-17H,6-7H2,(H,18,19)
InChIKeyXSNHTXKVNBMHMC-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.65
Rot. Bonds6

About 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid

2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid (PubChem CID 54486276) has the molecular formula C15H14O7S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
PubChem CID54486276
Molecular FormulaC15H14O7S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC Name2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
SMILESO=C(O)c1cc(OCCS(=O)(=O)c2cccc(O)c2)ccc1O
InChIInChI=1S/C15H14O7S/c16-10-2-1-3-12(8-10)23(20,21)7-6-22-11-4-5-14(17)13(9-11)15(18)19/h1-5,8-9,16-17H,6-7H2,(H,18,19)
InChIKeyXSNHTXKVNBMHMC-UHFFFAOYSA-N
XLogP1.65
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid
CID 19106295
2-hydroxy-5-[3-(3-methylphenyl)sulfonylpropoxy]benzoic acid
CID 57033435
5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
CID 54007123
2-hydroxy-4-[2-(3-methylphenyl)sulfonylethoxy]benzoic acid
CID 19106015
4-[3-(benzenesulfonyl)propoxy]-2-hydroxybenzoic acid
CID 23374955
5-[3-(4-chlorophenyl)sulfonylpropoxy]-2-hydroxybenzoic acid
CID 54039656
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
4-[18-(benzenesulfonyl)octadecoxy]-2-hydroxybenzoic acid
CID 19105975
2-hydroxy-5-[18-(4-methylphenyl)sulfonyloctadecoxy]benzoic acid
CID 19105941
5-[(E)-4-(benzenesulfonyl)but-2-enoxy]-2-hydroxybenzoic acid
CID 67790087
3-(3-hydroxyphenyl)sulfonylpropanoic acid
CID 84693395
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid (CID 54486276) is 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid is O=C(O)c1cc(OCCS(=O)(=O)c2cccc(O)c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid?
The InChIKey is XSNHTXKVNBMHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O7S/c16-10-2-1-3-12(8-10)23(20,21)7-6-22-11-4-5-14(17)13(9-11)15(18)19/h1-5,8-9,16-17H,6-7H2,(H,18,19).
What are the key properties of 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid?
2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid has a molecular weight of 338.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid is sourced from PubChem (CID 54486276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).