2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide

C19H20ClFN2O3S — CID 42065132

IUPAC2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN2O3S/c20-17-12-14(9-10-18(17)21)22-19(24)13-15-6-4-5-11-23(15)27(25,26)16-7-2-1-3-8-16/h1-3,7-10,12,15H,4-6,11,13H2,(H,22,24)/t15-/m0/s1
InChIKeyYKZCMNJRTRUFDU-HNNXBMFYSA-N
MW410.90 g/mol
LogP4.05
Rot. Bonds5

About 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 42065132) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID42065132
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN2O3S/c20-17-12-14(9-10-18(17)21)22-19(24)13-15-6-4-5-11-23(15)27(25,26)16-7-2-1-3-8-16/h1-3,7-10,12,15H,4-6,11,13H2,(H,22,24)/t15-/m0/s1
InChIKeyYKZCMNJRTRUFDU-HNNXBMFYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26562263
N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562158
N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574409
N-(2-fluorophenyl)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065307
N-(3-fluoro-4-methylphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836998

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 42065132) is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide is O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is YKZCMNJRTRUFDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-17-12-14(9-10-18(17)21)22-19(24)13-15-6-4-5-11-23(15)27(25,26)16-7-2-1-3-8-16/h1-3,7-10,12,15H,4-6,11,13H2,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 410.90 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 42065132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).