1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine

C25H26FNO4S — CID 24732947

IUPAC1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine
SMILESCOCc1ccc(-c2ccc(OC3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2)cc1
InChIInChI=1S/C25H26FNO4S/c1-30-18-19-5-7-20(8-6-19)21-9-11-23(12-10-21)31-24-13-15-27(16-14-24)32(28,29)25-4-2-3-22(26)17-25/h2-12,17,24H,13-16,18H2,1H3
InChIKeyAPCVHTIQYRTHCN-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.87
Rot. Bonds7

About 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine

1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine (PubChem CID 24732947) has the molecular formula C25H26FNO4S and a molecular weight of 455.55 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine
PubChem CID24732947
Molecular FormulaC25H26FNO4S
Molecular Weight455.55 g/mol
Exact Mass455.16
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine
SMILESCOCc1ccc(-c2ccc(OC3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2)cc1
InChIInChI=1S/C25H26FNO4S/c1-30-18-19-5-7-20(8-6-19)21-9-11-23(12-10-21)31-24-13-15-27(16-14-24)32(28,29)25-4-2-3-22(26)17-25/h2-12,17,24H,13-16,18H2,1H3
InChIKeyAPCVHTIQYRTHCN-UHFFFAOYSA-N
XLogP4.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
CID 46086751
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
3-[1-[3-(methoxymethyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992775
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine (CID 24732947) is 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine is COCc1ccc(-c2ccc(OC3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine?
The InChIKey is APCVHTIQYRTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO4S/c1-30-18-19-5-7-20(8-6-19)21-9-11-23(12-10-21)31-24-13-15-27(16-14-24)32(28,29)25-4-2-3-22(26)17-25/h2-12,17,24H,13-16,18H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine?
1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine has a molecular weight of 455.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine is sourced from PubChem (CID 24732947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).