2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

C20H22ClFN2O3S — CID 26562249

IUPAC2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c21-16-6-10-19(11-7-16)28(26,27)24-12-2-1-3-18(24)13-20(25)23-14-15-4-8-17(22)9-5-15/h4-11,18H,1-3,12-14H2,(H,23,25)/t18-/m0/s1
InChIKeyGAGPFSYLSWSDGW-SFHVURJKSA-N
MW424.93 g/mol
LogP3.73
Rot. Bonds6

About 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 26562249) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID26562249
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O3S/c21-16-6-10-19(11-7-16)28(26,27)24-12-2-1-3-18(24)13-20(25)23-14-15-4-8-17(22)9-5-15/h4-11,18H,1-3,12-14H2,(H,23,25)/t18-/m0/s1
InChIKeyGAGPFSYLSWSDGW-SFHVURJKSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826832
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 16836984
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26562300
N-(2-fluorophenyl)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065307
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
N'-[(4-chlorophenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574366
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561582
N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 41184438

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 26562249) is 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GAGPFSYLSWSDGW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c21-16-6-10-19(11-7-16)28(26,27)24-12-2-1-3-18(24)13-20(25)23-14-15-4-8-17(22)9-5-15/h4-11,18H,1-3,12-14H2,(H,23,25)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 424.93 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 26562249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).