2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide

C13H17ClN2O3S — CID 70264662

IUPAC2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3S/c14-10-4-3-6-12(8-10)20(18,19)16-7-2-1-5-11(16)9-13(15)17/h3-4,6,8,11H,1-2,5,7,9H2,(H2,15,17)
InChIKeyDHPWQZNKPCSWMA-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.76
Rot. Bonds4

About 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide

2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide (PubChem CID 70264662) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
PubChem CID70264662
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3S/c14-10-4-3-6-12(8-10)20(18,19)16-7-2-1-5-11(16)9-13(15)17/h3-4,6,8,11H,1-2,5,7,9H2,(H2,15,17)
InChIKeyDHPWQZNKPCSWMA-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonyl-N-cyclobutylbenzamide
CID 72918754
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
CID 24627301
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetic acid
CID 57436798

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide (CID 70264662) is 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide is NC(=O)CC1CCCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide?
The InChIKey is DHPWQZNKPCSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-10-4-3-6-12(8-10)20(18,19)16-7-2-1-5-11(16)9-13(15)17/h3-4,6,8,11H,1-2,5,7,9H2,(H2,15,17).
What are the key properties of 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide?
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide has a molecular weight of 316.81 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 70264662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).