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

C21H28N2O3S — CID 3133128

IUPACN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-10-12-19(13-11-18)23(27(25,26)21-8-4-2-5-9-21)17-20(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3
InChIKeyWOSBWXMYRPCZJL-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.04
Rot. Bonds7

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

N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 3133128) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID3133128
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-10-12-19(13-11-18)23(27(25,26)21-8-4-2-5-9-21)17-20(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3
InChIKeyWOSBWXMYRPCZJL-UHFFFAOYSA-N
XLogP3.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
N-(2-Hydroxy-3-pyrrolidin-1-yl-propyl)-N-phenyl-benzenesulfonamide
CID 3145446
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzenesulfonamide
CID 6906008
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
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-(diethylamino)phenyl]methyl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 71584411
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide (CID 3133128) is N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is WOSBWXMYRPCZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18-10-12-19(13-11-18)23(27(25,26)21-8-4-2-5-9-21)17-20(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3.
What are the key properties of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.04, 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)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3133128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).