2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide

C13H16ClFN2O3S — CID 95632899

IUPAC2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H16ClFN2O3S/c14-11-5-4-9(15)7-12(11)21(19,20)17-6-2-1-3-10(17)8-13(16)18/h4-5,7,10H,1-3,6,8H2,(H2,16,18)/t10-/m0/s1
InChIKeyALWKJWJWOBXABJ-JTQLQIEISA-N
MW334.80 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide

2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide (PubChem CID 95632899) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
PubChem CID95632899
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H16ClFN2O3S/c14-11-5-4-9(15)7-12(11)21(19,20)17-6-2-1-3-10(17)8-13(16)18/h4-5,7,10H,1-3,6,8H2,(H2,16,18)/t10-/m0/s1
InChIKeyALWKJWJWOBXABJ-JTQLQIEISA-N
XLogP1.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 105400762
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61010119
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 84590364
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372074

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide (CID 95632899) is 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide is NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide?
The InChIKey is ALWKJWJWOBXABJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c14-11-5-4-9(15)7-12(11)21(19,20)17-6-2-1-3-10(17)8-13(16)18/h4-5,7,10H,1-3,6,8H2,(H2,16,18)/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide?
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide has a molecular weight of 334.80 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 95632899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).