N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

C24H32N4O3S — CID 50788537

IUPACN-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C24H32N4O3S/c29-24(27-17-13-25-14-18-27)20-28(32(30,31)23-9-5-2-6-10-23)22-11-15-26(16-12-22)19-21-7-3-1-4-8-21/h1-10,22,25H,11-20H2
InChIKeyBTKJJODGEHLXDS-UHFFFAOYSA-N
MW456.61 g/mol
LogP1.77
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 50788537) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID50788537
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C24H32N4O3S/c29-24(27-17-13-25-14-18-27)20-28(32(30,31)23-9-5-2-6-10-23)22-11-15-26(16-12-22)19-21-7-3-1-4-8-21/h1-10,22,25H,11-20H2
InChIKeyBTKJJODGEHLXDS-UHFFFAOYSA-N
XLogP1.77
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (CID 50788537) is N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is O=C(CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is BTKJJODGEHLXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c29-24(27-17-13-25-14-18-27)20-28(32(30,31)23-9-5-2-6-10-23)22-11-15-26(16-12-22)19-21-7-3-1-4-8-21/h1-10,22,25H,11-20H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 50788537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).