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

C21H28N2O3S — CID 2884285

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

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

N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 2884285) 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)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID2884285
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-10-12-21(13-11-18)27(25,26)23(19-8-4-2-5-9-19)17-20(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3
InChIKeyOEMLVUDTSTVKTP-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

N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
1-[(2,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 775783
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(2-Hydroxy-3-pyrrolidin-1-yl-propyl)-N-phenyl-benzenesulfonamide
CID 3145446
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
4-methyl-N-(4-(4-phenylpiperazin-1-yl)butyl)benzenesulfonamide
CID 11740935
N-Isopropyl-4-methyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 49864686
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-benzyl-4-(4-hydroxypiperidin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
CID 90200576
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813
1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine
CID 77621

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide (CID 2884285) is N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is OEMLVUDTSTVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18-10-12-21(13-11-18)27(25,26)23(19-8-4-2-5-9-19)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)-4-methyl-N-phenylbenzenesulfonamide?
N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide 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)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2884285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).