N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C15H22N2O3S — CID 2991053

IUPACN-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-2-17(13-15(18)16-11-7-4-8-12-16)21(19,20)14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3
InChIKeyTZSOOAGNPNFIMX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.71
Rot. Bonds5

About N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 2991053) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID2991053
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-2-17(13-15(18)16-11-7-4-8-12-16)21(19,20)14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3
InChIKeyTZSOOAGNPNFIMX-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 2991053) is N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is TZSOOAGNPNFIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-17(13-15(18)16-11-7-4-8-12-16)21(19,20)14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3.
What are the key properties of N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2991053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).