N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide

C21H28N2O3S — CID 21426522

IUPACN-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCCC(O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c24-21(18-8-3-1-4-9-18)12-7-15-23-16-13-19(14-17-23)22-27(25,26)20-10-5-2-6-11-20/h1-6,8-11,19,21-22,24H,7,12-17H2
InChIKeyWNNMEZXYJYDADZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.94
Rot. Bonds8

About N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide

N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 21426522) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
PubChem CID21426522
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCCC(O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c24-21(18-8-3-1-4-9-18)12-7-15-23-16-13-19(14-17-23)22-27(25,26)20-10-5-2-6-11-20/h1-6,8-11,19,21-22,24H,7,12-17H2
InChIKeyWNNMEZXYJYDADZ-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
CID 91051221
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
CID 94615297
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
CID 166380691
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid
CID 139613509
6-[3-[(4-bromophenyl)sulfonylamino]pyrrolidin-1-yl]hexanoic acid
CID 139613526
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide (CID 21426522) is N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCCC(O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is WNNMEZXYJYDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c24-21(18-8-3-1-4-9-18)12-7-15-23-16-13-19(14-17-23)22-27(25,26)20-10-5-2-6-11-20/h1-6,8-11,19,21-22,24H,7,12-17H2.
What are the key properties of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 21426522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).