3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride

C20H26ClN3O3S — CID 119375100

IUPAC3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-7-8-18(27(25,26)22-14-16-5-3-2-4-6-16)13-19(15)20(24)23-11-9-17(21)10-12-23;/h2-8,13,17,22H,9-12,14,21H2,1H3;1H
InChIKeyAWQXQXBSNQDKHL-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.46
Rot. Bonds5

About 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride

3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119375100) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119375100
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-7-8-18(27(25,26)22-14-16-5-3-2-4-6-16)13-19(15)20(24)23-11-9-17(21)10-12-23;/h2-8,13,17,22H,9-12,14,21H2,1H3;1H
InChIKeyAWQXQXBSNQDKHL-UHFFFAOYSA-N
XLogP2.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 55585013
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31567043
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119543123
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119411385
5-(benzylsulfamoyl)-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388373
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 42937358

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride (CID 119375100) is 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is AWQXQXBSNQDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-15-7-8-18(27(25,26)22-14-16-5-3-2-4-6-16)13-19(15)20(24)23-11-9-17(21)10-12-23;/h2-8,13,17,22H,9-12,14,21H2,1H3;1H.
What are the key properties of 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride?
3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119375100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).