2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid

C14H18FNO5S — CID 166266451

IUPAC2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO5S/c15-12-3-5-13(6-4-12)22(19,20)16-7-1-2-11(8-16)9-21-10-14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18)
InChIKeyPVISFIRLSWDEJP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.33
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid

2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid (PubChem CID 166266451) has the molecular formula C14H18FNO5S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
PubChem CID166266451
Molecular FormulaC14H18FNO5S
Molecular Weight331.37 g/mol
Exact Mass331.09
IUPAC Name2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO5S/c15-12-3-5-13(6-4-12)22(19,20)16-7-1-2-11(8-16)9-21-10-14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18)
InChIKeyPVISFIRLSWDEJP-UHFFFAOYSA-N
XLogP1.33
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
2-[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 129384889
2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methylphenyl]acetic acid
CID 24863259
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-cyclooctyl-3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]urea
CID 173136881
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid (CID 166266451) is 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid is O=C(O)COCC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid?
The InChIKey is PVISFIRLSWDEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO5S/c15-12-3-5-13(6-4-12)22(19,20)16-7-1-2-11(8-16)9-21-10-14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18).
What are the key properties of 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid?
2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 166266451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).