4-(4-phenylmethoxyphenyl)sulfonylpiperidine

C18H21NO3S — CID 59862358

IUPAC4-(4-phenylmethoxyphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OCc2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-10-12-19-13-11-18)17-8-6-16(7-9-17)22-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2
InChIKeyLETINSTYZKAIMX-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.79
Rot. Bonds5

About 4-(4-phenylmethoxyphenyl)sulfonylpiperidine

4-(4-phenylmethoxyphenyl)sulfonylpiperidine (PubChem CID 59862358) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)sulfonylpiperidine
PubChem CID59862358
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(4-phenylmethoxyphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OCc2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-10-12-19-13-11-18)17-8-6-16(7-9-17)22-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2
InChIKeyLETINSTYZKAIMX-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560
4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
CID 18538559
4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
CID 59862389
3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311
4-piperidin-4-ylsulfonylaniline
CID 67192184
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
(4-phenylmethoxyphenyl) benzenesulfonate
CID 7227856

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-phenylmethoxyphenyl)sulfonylpiperidine (CID 59862358) is 4-(4-phenylmethoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)sulfonylpiperidine is O=S(=O)(c1ccc(OCc2ccccc2)cc1)C1CCNCC1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)sulfonylpiperidine?
The InChIKey is LETINSTYZKAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-23(21,18-10-12-19-13-11-18)17-8-6-16(7-9-17)22-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2.
What are the key properties of 4-(4-phenylmethoxyphenyl)sulfonylpiperidine?
4-(4-phenylmethoxyphenyl)sulfonylpiperidine has a molecular weight of 331.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 59862358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).