3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine

C19H22FNO3S — CID 46029113

IUPAC3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(OCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FNO3S/c1-15-4-10-19(11-5-15)25(22,23)21-12-2-3-18(13-21)24-14-16-6-8-17(20)9-7-16/h4-11,18H,2-3,12-14H2,1H3
InChIKeyFNHANZBUDFYVNU-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.50
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine

3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 46029113) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID46029113
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(OCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FNO3S/c1-15-4-10-19(11-5-15)25(22,23)21-12-2-3-18(13-21)24-14-16-6-8-17(20)9-7-16/h4-11,18H,2-3,12-14H2,1H3
InChIKeyFNHANZBUDFYVNU-UHFFFAOYSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
(3R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666011
N-[3-(4-fluorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168061
3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 53089890
1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
CID 46153744
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
2-[4-(3-ethoxypiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186274
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine (CID 46029113) is 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC(OCc3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is FNHANZBUDFYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-15-4-10-19(11-5-15)25(22,23)21-12-2-3-18(13-21)24-14-16-6-8-17(20)9-7-16/h4-11,18H,2-3,12-14H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine?
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 363.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 46029113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).