2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide

C13H17ClN2O4S — CID 4667285

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O4S/c14-11-8-10(4-5-12(11)20-9-13(15)17)21(18,19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H2,15,17)
InChIKeyDHZQVWTWKLOJSL-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 4667285) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
PubChem CID4667285
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O4S/c14-11-8-10(4-5-12(11)20-9-13(15)17)21(18,19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H2,15,17)
InChIKeyDHZQVWTWKLOJSL-UHFFFAOYSA-N
XLogP1.38
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
4-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)butanoic acid
CID 146132875
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4304721
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide (CID 4667285) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is DHZQVWTWKLOJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c14-11-8-10(4-5-12(11)20-9-13(15)17)21(18,19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H2,15,17).
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 332.81 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 4667285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).