(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

C24H23F2NO5S — CID 55554776

IUPAC(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc2cc(COC(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ccc2c1
InChIInChI=1S/C24H23F2NO5S/c1-31-21-6-4-18-12-16(2-3-19(18)13-21)15-32-24(28)17-8-10-27(11-9-17)33(29,30)23-14-20(25)5-7-22(23)26/h2-7,12-14,17H,8-11,15H2,1H3
InChIKeyCKWUSFGFLFZJTA-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.27
Rot. Bonds6

About (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 55554776) has the molecular formula C24H23F2NO5S and a molecular weight of 475.51 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID55554776
Molecular FormulaC24H23F2NO5S
Molecular Weight475.51 g/mol
Exact Mass475.13
IUPAC Name(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc2cc(COC(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ccc2c1
InChIInChI=1S/C24H23F2NO5S/c1-31-21-6-4-18-12-16(2-3-19(18)13-21)15-32-24(28)17-8-10-27(11-9-17)33(29,30)23-14-20(25)5-7-22(23)26/h2-7,12-14,17H,8-11,15H2,1H3
InChIKeyCKWUSFGFLFZJTA-UHFFFAOYSA-N
XLogP4.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
(6-chloro-3-pyridinyl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 34160582
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460078
(4-pyrazol-1-ylphenyl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 33075168
(3-methoxyphenyl)methyl 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 25310532
(3-methyl-1,2-oxazol-5-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 33075196
N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 33081307
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 27793157
2-(3-methylphenoxy)ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394636
ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460150
(3-methoxyphenyl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 27026066

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate (CID 55554776) is (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate is COc1ccc2cc(COC(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is CKWUSFGFLFZJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO5S/c1-31-21-6-4-18-12-16(2-3-19(18)13-21)15-32-24(28)17-8-10-27(11-9-17)33(29,30)23-14-20(25)5-7-22(23)26/h2-7,12-14,17H,8-11,15H2,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 475.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55554776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).