5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid

C15H14O6S — CID 19106295

IUPAC5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(OCCS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H14O6S/c16-14-7-6-11(10-13(14)15(17)18)21-8-9-22(19,20)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2,(H,17,18)
InChIKeyNJPAQCODFFVRCJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.94
Rot. Bonds6

About 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid

5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid (PubChem CID 19106295) has the molecular formula C15H14O6S and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid
PubChem CID19106295
Molecular FormulaC15H14O6S
Molecular Weight322.34 g/mol
Exact Mass322.05
IUPAC Name5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(OCCS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H14O6S/c16-14-7-6-11(10-13(14)15(17)18)21-8-9-22(19,20)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2,(H,17,18)
InChIKeyNJPAQCODFFVRCJ-UHFFFAOYSA-N
XLogP1.94
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
CID 54007123
2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
CID 54486276
4-[3-(benzenesulfonyl)propoxy]-2-hydroxybenzoic acid
CID 23374955
5-[3-(4-chlorophenyl)sulfonylpropoxy]-2-hydroxybenzoic acid
CID 54039656
2-hydroxy-5-[3-(3-methylphenyl)sulfonylpropoxy]benzoic acid
CID 57033435
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
4-[2-(benzenesulfonyl)ethoxy]benzoic acid
CID 43532538
2-hydroxy-4-[2-(3-methylphenyl)sulfonylethoxy]benzoic acid
CID 19106015
5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid
CID 19906015
5-[1-[[2-(benzenesulfonyl)acetyl]amino]ethoxy]-2-hydroxybenzoic acid
CID 19106230

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid (CID 19106295) is 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid is O=C(O)c1cc(OCCS(=O)(=O)c2ccccc2)ccc1O.
What is the InChIKey of 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid?
The InChIKey is NJPAQCODFFVRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6S/c16-14-7-6-11(10-13(14)15(17)18)21-8-9-22(19,20)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2,(H,17,18).
What are the key properties of 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid?
5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid has a molecular weight of 322.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 19106295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).