N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide

C23H32N2O2S — CID 51353133

IUPACN-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCN2CCCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C23H32N2O2S/c1-2-9-21-12-14-23(15-13-21)28(26,27)25(20-22-10-5-3-6-11-22)19-18-24-16-7-4-8-17-24/h3,5-6,10-15H,2,4,7-9,16-20H2,1H3
InChIKeyGDJQVZOXLOVZCS-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.32
Rot. Bonds9

About N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide

N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide (PubChem CID 51353133) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
PubChem CID51353133
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCN2CCCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C23H32N2O2S/c1-2-9-21-12-14-23(15-13-21)28(26,27)25(20-22-10-5-3-6-11-22)19-18-24-16-7-4-8-17-24/h3,5-6,10-15H,2,4,7-9,16-20H2,1H3
InChIKeyGDJQVZOXLOVZCS-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide (CID 51353133) is N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CCN2CCCCC2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide?
The InChIKey is GDJQVZOXLOVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-2-9-21-12-14-23(15-13-21)28(26,27)25(20-22-10-5-3-6-11-22)19-18-24-16-7-4-8-17-24/h3,5-6,10-15H,2,4,7-9,16-20H2,1H3.
What are the key properties of N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide?
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide has a molecular weight of 400.59 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 51353133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).