N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride

C21H28ClN3O3S — CID 42913093

IUPACN-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O3S.ClH/c1-17(25)22-15-18-7-9-21(10-8-18)28(26,27)23-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19;/h2-10,20,23H,11-16H2,1H3,(H,22,25);1H
InChIKeyOLWWFDOCNQUNLC-UHFFFAOYSA-N
MW437.99 g/mol
LogP2.69
Rot. Bonds7

About N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride

N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 42913093) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID42913093
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC NameN-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O3S.ClH/c1-17(25)22-15-18-7-9-21(10-8-18)28(26,27)23-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19;/h2-10,20,23H,11-16H2,1H3,(H,22,25);1H
InChIKeyOLWWFDOCNQUNLC-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 55355371
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 46823312
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 110986559
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
4-benzyl-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960184

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride (CID 42913093) is N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is OLWWFDOCNQUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S.ClH/c1-17(25)22-15-18-7-9-21(10-8-18)28(26,27)23-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19;/h2-10,20,23H,11-16H2,1H3,(H,22,25);1H.
What are the key properties of N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride?
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 437.99 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 42913093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).