N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide

C22H30N2O3S — CID 2883960

IUPACN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-18-6-10-20(11-7-18)24(17-21(25)16-23-14-4-3-5-15-23)28(26,27)22-12-8-19(2)9-13-22/h6-13,21,25H,3-5,14-17H2,1-2H3
InChIKeyXFZZBBILBJGSKP-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.35
Rot. Bonds7

About N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide

N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2883960) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2883960
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-18-6-10-20(11-7-18)24(17-21(25)16-23-14-4-3-5-15-23)28(26,27)22-12-8-19(2)9-13-22/h6-13,21,25H,3-5,14-17H2,1-2H3
InChIKeyXFZZBBILBJGSKP-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Arylsulfonylpiperazine, 35
CID 44237030
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(2-Hydroxy-3-pyrrolidin-1-yl-propyl)-N-phenyl-benzenesulfonamide
CID 3145446
N-Isopropyl-4-methyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 49864686
N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584277
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 71584410
N-[[4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659438
N-(2-methylpropyl)-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylmethanesulfonamide
CID 89701100
N-[[4-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89701201
N-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
CID 90200576
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 2883960) is N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is XFZZBBILBJGSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-18-6-10-20(11-7-18)24(17-21(25)16-23-14-4-3-5-15-23)28(26,27)22-12-8-19(2)9-13-22/h6-13,21,25H,3-5,14-17H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).