4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C20H25ClN2O3S — CID 42913092

IUPAC4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C20H24N2O3S.ClH/c1-16(23)18-7-9-20(10-8-18)26(24,25)21-19-11-13-22(14-12-19)15-17-5-3-2-4-6-17;/h2-10,19,21H,11-15H2,1H3;1H
InChIKeyRZHNKWWEIMKYSU-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.25
Rot. Bonds6

About 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 42913092) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID42913092
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C20H24N2O3S.ClH/c1-16(23)18-7-9-20(10-8-18)26(24,25)21-19-11-13-22(14-12-19)15-17-5-3-2-4-6-17;/h2-10,19,21H,11-15H2,1H3;1H
InChIKeyRZHNKWWEIMKYSU-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 74228948
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
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
N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 55355371
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 42913092) is 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is RZHNKWWEIMKYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S.ClH/c1-16(23)18-7-9-20(10-8-18)26(24,25)21-19-11-13-22(14-12-19)15-17-5-3-2-4-6-17;/h2-10,19,21H,11-15H2,1H3;1H.
What are the key properties of 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 42913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).