2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide

C20H31N3O3S — CID 51127345

IUPAC2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
SMILESO=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N1CCCCCCC1
InChIInChI=1S/C20H31N3O3S/c24-20(23-15-5-2-1-3-6-16-23)17-27(25,26)21-18-9-11-19(12-10-18)22-13-7-4-8-14-22/h9-12,21H,1-8,13-17H2
InChIKeyZCTNBEPTNKMSDJ-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.21
Rot. Bonds5

About 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide

2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide (PubChem CID 51127345) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
PubChem CID51127345
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
SMILESO=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N1CCCCCCC1
InChIInChI=1S/C20H31N3O3S/c24-20(23-15-5-2-1-3-6-16-23)17-27(25,26)21-18-9-11-19(12-10-18)22-13-7-4-8-14-22/h9-12,21H,1-8,13-17H2
InChIKeyZCTNBEPTNKMSDJ-UHFFFAOYSA-N
XLogP3.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-cyano-2-methylpropyl)piperazin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 56532061
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
N-(2-methoxyethyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47800835
N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47801133
N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47801652
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55821184
1-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 63665538

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide?
The IUPAC name of 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide (CID 51127345) is 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide is O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide?
The InChIKey is ZCTNBEPTNKMSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c24-20(23-15-5-2-1-3-6-16-23)17-27(25,26)21-18-9-11-19(12-10-18)22-13-7-4-8-14-22/h9-12,21H,1-8,13-17H2.
What are the key properties of 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide?
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide has a molecular weight of 393.55 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 51127345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).