methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate

C20H22FNO4S — CID 170984965

IUPACmethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO4S/c1-26-20(23)14-16-4-2-3-5-19(16)15-10-12-22(13-11-15)27(24,25)18-8-6-17(21)7-9-18/h2-9,15H,10-14H2,1H3
InChIKeyCEWOWWGTINGYLP-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.11
Rot. Bonds5

About methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate

methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate (PubChem CID 170984965) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate
PubChem CID170984965
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Namemethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO4S/c1-26-20(23)14-16-4-2-3-5-19(16)15-10-12-22(13-11-15)27(24,25)18-8-6-17(21)7-9-18/h2-9,15H,10-14H2,1H3
InChIKeyCEWOWWGTINGYLP-UHFFFAOYSA-N
XLogP3.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
methyl 2-[3-[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]phenyl]acetate
CID 24862933
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
methyl 2-[11-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate
CID 68876148
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249
(2-ethoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739799
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
CID 55600254
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate (CID 170984965) is methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate is COC(=O)Cc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate?
The InChIKey is CEWOWWGTINGYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4S/c1-26-20(23)14-16-4-2-3-5-19(16)15-10-12-22(13-11-15)27(24,25)18-8-6-17(21)7-9-18/h2-9,15H,10-14H2,1H3.
What are the key properties of methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate?
methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate has a molecular weight of 391.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate is sourced from PubChem (CID 170984965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).