4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid

C25H25NO6S — CID 18333696

IUPAC4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H25NO6S/c27-20-14-15-26(24(16-20)25(28)29)33(30,31)22-12-10-21(11-13-22)32-17-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-13,20,24,27H,14-17H2,(H,28,29)
InChIKeyHXAMZFYTMPHHJV-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.53
Rot. Bonds7

About 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid

4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid (PubChem CID 18333696) has the molecular formula C25H25NO6S and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
PubChem CID18333696
Molecular FormulaC25H25NO6S
Molecular Weight467.54 g/mol
Exact Mass467.14
IUPAC Name4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H25NO6S/c27-20-14-15-26(24(16-20)25(28)29)33(30,31)22-12-10-21(11-13-22)32-17-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-13,20,24,27H,14-17H2,(H,28,29)
InChIKeyHXAMZFYTMPHHJV-UHFFFAOYSA-N
XLogP3.53
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333793
1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid
CID 18333820
1-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid
CID 18333743
(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712324
(2R)-5-aminooxy-1-(4-phenylmethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 70216579
methyl 3-[[4-[4-hydroxy-2-(hydroxycarbamoyl)piperidin-1-yl]sulfonylphenoxy]methyl]benzoate
CID 87888231
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid
CID 18333821
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
CID 54555315
5-hydroxy-1-[4-[(3,4,5-trifluorophenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333750

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid (CID 18333696) is 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CC(O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
The InChIKey is HXAMZFYTMPHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6S/c27-20-14-15-26(24(16-20)25(28)29)33(30,31)22-12-10-21(11-13-22)32-17-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-13,20,24,27H,14-17H2,(H,28,29).
What are the key properties of 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid has a molecular weight of 467.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 18333696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).