1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine

C18H20FNO3S — CID 86972427

IUPAC1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C18H20FNO3S/c19-17-10-4-5-11-18(17)24(21,22)20-12-6-7-15(13-20)14-23-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2
InChIKeySBDFWZOKYMEGJN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine

1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine (PubChem CID 86972427) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
PubChem CID86972427
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C18H20FNO3S/c19-17-10-4-5-11-18(17)24(21,22)20-12-6-7-15(13-20)14-23-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2
InChIKeySBDFWZOKYMEGJN-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
CID 110410428
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971225
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879448
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
2-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 110638544
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine (CID 86972427) is 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine is O=S(=O)(c1ccccc1F)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The InChIKey is SBDFWZOKYMEGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-17-10-4-5-11-18(17)24(21,22)20-12-6-7-15(13-20)14-23-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine?
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine has a molecular weight of 349.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine is sourced from PubChem (CID 86972427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).