4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride

C19H24ClN3O3S — CID 119375145

IUPAC4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-21(17-5-3-2-4-6-17)26(24,25)18-9-7-15(8-10-18)19(23)22-13-11-16(20)12-14-22;/h2-10,16H,11-14,20H2,1H3;1H
InChIKeyNHFUPLCWQBQRKN-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.50
Rot. Bonds4

About 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride

4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride (PubChem CID 119375145) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
PubChem CID119375145
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-21(17-5-3-2-4-6-17)26(24,25)18-9-7-15(8-10-18)19(23)22-13-11-16(20)12-14-22;/h2-10,16H,11-14,20H2,1H3;1H
InChIKeyNHFUPLCWQBQRKN-UHFFFAOYSA-N
XLogP2.50
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
4-[4-(1,3-benzothiazol-2-yloxymethyl)piperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 121106137
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride (CID 119375145) is 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is NHFUPLCWQBQRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-21(17-5-3-2-4-6-17)26(24,25)18-9-7-15(8-10-18)19(23)22-13-11-16(20)12-14-22;/h2-10,16H,11-14,20H2,1H3;1H.
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride?
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119375145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).