N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide

C22H30N2O3S — CID 90200576

IUPACN-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-18(2)16-24(17-19-6-4-3-5-7-19)28(26,27)22-10-8-20(9-11-22)23-14-12-21(25)13-15-23/h3-11,18,21,25H,12-17H2,1-2H3
InChIKeyZNMAEEWQGTYJFG-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.49
Rot. Bonds7

About N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide

N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 90200576) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID90200576
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-18(2)16-24(17-19-6-4-3-5-7-19)28(26,27)22-10-8-20(9-11-22)23-14-12-21(25)13-15-23/h3-11,18,21,25H,12-17H2,1-2H3
InChIKeyZNMAEEWQGTYJFG-UHFFFAOYSA-N
XLogP3.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
N-[[4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659438
N-[[4-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89701201
4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide
CID 90200433
N-benzyl-2-fluoro-N-(2-methylpropyl)-4-(4-methylsulfonylpiperazin-1-yl)benzenesulfonamide
CID 90200607
4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 90200670
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813
N-benzyl-3-fluoro-N-(2-methylpropyl)-4-(4-methylsulfonylpiperazin-1-yl)benzenesulfonamide
CID 90200856
N-benzyl-N-(2-methylpropyl)-4-(4-methylsulfonylpiperazin-1-yl)benzenesulfonamide
CID 90201096
N-(2-methylpropyl)-4-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 118527009
N-(2-Hydroxy-3-piperidin-1-yl-propyl)-4-methyl-N-p-tolyl-benzenesulfonamide
CID 2883960
N-(2-Hydroxy-3-morpholin-4-yl-propyl)-4-nitro-N-p-tolyl-benzenesulfonamide
CID 3133094

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide (CID 90200576) is N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is ZNMAEEWQGTYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-18(2)16-24(17-19-6-4-3-5-7-19)28(26,27)22-10-8-20(9-11-22)23-14-12-21(25)13-15-23/h3-11,18,21,25H,12-17H2,1-2H3.
What are the key properties of N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 90200576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).