1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine

C17H19NO4S — CID 67581124

IUPAC1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(Oc2ccccc2)c1)C1CCN(O)CC1
InChIInChI=1S/C17H19NO4S/c19-18-11-9-16(10-12-18)23(20,21)17-8-4-7-15(13-17)22-14-5-2-1-3-6-14/h1-8,13,16,19H,9-12H2
InChIKeyDYQCBOPDGZUQFK-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.11
Rot. Bonds4

About 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine

1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine (PubChem CID 67581124) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine
PubChem CID67581124
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(Oc2ccccc2)c1)C1CCN(O)CC1
InChIInChI=1S/C17H19NO4S/c19-18-11-9-16(10-12-18)23(20,21)17-8-4-7-15(13-17)22-14-5-2-1-3-6-14/h1-8,13,16,19H,9-12H2
InChIKeyDYQCBOPDGZUQFK-UHFFFAOYSA-N
XLogP3.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonylpiperidin-2-one
CID 44455760
1-[2-(3-Methoxyphenyl)sulfonylethyl]piperidine
CID 53565497
1-[2-(3-Methoxyphenyl)sulfonylethyl]piperidin-4-ol
CID 51108027
3-((4-Fluorophenyl)sulfonyl)-1-((3-phenoxypropyl)sulfonyl)piperidine
CID 72718852
N-[4-piperidin-1-yl-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylbutan-2-yl]hydroxylamine
CID 21700294
4-[4-(4-Fluoro-3-methylphenoxy)phenyl]sulfonyl-1-hydroxypiperidine
CID 70006400
4-[4-(3-Chloro-4-fluorophenoxy)phenyl]sulfonyl-1-hydroxypiperidine
CID 70008659
1-[3-(2,4-Difluorophenoxy)phenyl]sulfonylpiperidine
CID 91281349
4-[4-(4-Fluorophenoxy)phenyl]sulfonyl-1-methylpiperidine
CID 140979084
1-Propyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine
CID 162467609
[(4-Phenoxyphenyl)sulfonyl]piperidine
CID 779936
1-((3-Fluoro-4-methoxyphenyl)sulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperidine
CID 71809046

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine (CID 67581124) is 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine is O=S(=O)(c1cccc(Oc2ccccc2)c1)C1CCN(O)CC1.
What is the InChIKey of 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine?
The InChIKey is DYQCBOPDGZUQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c19-18-11-9-16(10-12-18)23(20,21)17-8-4-7-15(13-17)22-14-5-2-1-3-6-14/h1-8,13,16,19H,9-12H2.
What are the key properties of 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine?
1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine has a molecular weight of 333.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 67581124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).