4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide

C21H26N2O3S — CID 9414267

IUPAC4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-22(2)27(25,26)20-10-8-19(9-11-20)21(24)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3
InChIKeyNAUTTXLHAYYKHP-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.03
Rot. Bonds5

About 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide

4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 9414267) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID9414267
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-22(2)27(25,26)20-10-8-19(9-11-20)21(24)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3
InChIKeyNAUTTXLHAYYKHP-UHFFFAOYSA-N
XLogP3.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide 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

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 5214923
5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 46349154
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
4-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 121191916
4-[3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110658310
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 121197435

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 9414267) is 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is NAUTTXLHAYYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-22(2)27(25,26)20-10-8-19(9-11-20)21(24)23-14-12-18(13-15-23)16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 9414267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).