N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

C20H24N2O3S — CID 109063284

IUPACN-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c1-21(16-17-9-4-2-5-10-17)26(24,25)19-12-8-11-18(15-19)20(23)22-13-6-3-7-14-22/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3
InChIKeyPDPLIJGMGOEHCH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063284) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063284
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c1-21(16-17-9-4-2-5-10-17)26(24,25)19-12-8-11-18(15-19)20(23)22-13-6-3-7-14-22/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3
InChIKeyPDPLIJGMGOEHCH-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
CID 50777606
N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777828
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 43035629
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 109063284) is N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is PDPLIJGMGOEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21(16-17-9-4-2-5-10-17)26(24,25)19-12-8-11-18(15-19)20(23)22-13-6-3-7-14-22/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).