5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride

C22H25ClN2O2S — CID 164614512

IUPAC5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1cccc2c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cccc12
InChIInChI=1S/C22H24N2O2S.ClH/c23-21-10-4-9-20-19(21)8-5-11-22(20)27(25,26)24-14-12-18(13-15-24)16-17-6-2-1-3-7-17;/h1-11,18H,12-16,23H2;1H
InChIKeyVXEAIFZECBAVGY-UHFFFAOYSA-N
MW416.97 g/mol
LogP4.49
Rot. Bonds4

About 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride

5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride (PubChem CID 164614512) has the molecular formula C22H25ClN2O2S and a molecular weight of 416.97 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride
PubChem CID164614512
Molecular FormulaC22H25ClN2O2S
Molecular Weight416.97 g/mol
Exact Mass416.13
IUPAC Name5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1cccc2c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cccc12
InChIInChI=1S/C22H24N2O2S.ClH/c23-21-10-4-9-20-19(21)8-5-11-22(20)27(25,26)24-14-12-18(13-15-24)16-17-6-2-1-3-7-17;/h1-11,18H,12-16,23H2;1H
InChIKeyVXEAIFZECBAVGY-UHFFFAOYSA-N
XLogP4.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.97
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride 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

Monodansylcadaverine
CID 4247
Ammonium 1-anilinonaphthalene-8-sulfonate
CID 120066
FluoroBora I
CID 150643
2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580033
n-(1-Naphthyl)benzenesulfonamide
CID 253799
Dansylethylenediamine
CID 161851
6-(Dimethylamino)-3-phenyl-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7a)
CID 126842699
6-(Dimethylamino)-3-(4'-methylphenyl)-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7c)
CID 126842701
N1-dansyl-spermine
CID 9889212
4-(4-Piperazin-1-ylnaphthalen-1-yl)sulfonylaniline;hydrochloride
CID 45263161
1-(2-Methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 6468408
2-[3-(4-Phenyl-1-piperazinyl)propyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580032

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride (CID 164614512) is 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride is Cl.Nc1cccc2c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cccc12.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride?
The InChIKey is VXEAIFZECBAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S.ClH/c23-21-10-4-9-20-19(21)8-5-11-22(20)27(25,26)24-14-12-18(13-15-24)16-17-6-2-1-3-7-17;/h1-11,18H,12-16,23H2;1H.
What are the key properties of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride?
5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride has a molecular weight of 416.97 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 164614512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).