2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid

C13H17NO6S — CID 43503048

IUPAC2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C13H17NO6S/c15-10-2-1-7-14(8-10)21(18,19)12-5-3-11(4-6-12)20-9-13(16)17/h3-6,10,15H,1-2,7-9H2,(H,16,17)
InChIKeyJSXZXICOISWLJL-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.30
Rot. Bonds5

About 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid

2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid (PubChem CID 43503048) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
PubChem CID43503048
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C13H17NO6S/c15-10-2-1-7-14(8-10)21(18,19)12-5-3-11(4-6-12)20-9-13(16)17/h3-6,10,15H,1-2,7-9H2,(H,16,17)
InChIKeyJSXZXICOISWLJL-UHFFFAOYSA-N
XLogP0.30
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]acetic acid
CID 61226405
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
2-[4-[3-(difluoromethoxy)azetidin-1-yl]sulfonylphenoxy]acetic acid
CID 146129203
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
2-[4-(3-fluoro-3-methylazetidin-1-yl)sulfonylphenoxy]acetic acid
CID 136570722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid?
The IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid (CID 43503048) is 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid?
The canonical SMILES for 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid?
The InChIKey is JSXZXICOISWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c15-10-2-1-7-14(8-10)21(18,19)12-5-3-11(4-6-12)20-9-13(16)17/h3-6,10,15H,1-2,7-9H2,(H,16,17).
What are the key properties of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid?
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid has a molecular weight of 315.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid is sourced from PubChem (CID 43503048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).