N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride

C20H26ClN3O3S — CID 119380856

IUPACN-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC(N)C3)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-5-11-19(12-6-15)27(25,26)22(2)18-9-7-16(8-10-18)20(24)23-13-3-4-17(21)14-23;/h5-12,17H,3-4,13-14,21H2,1-2H3;1H
InChIKeyGCLLZLFLFLBHIJ-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride

N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119380856) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119380856
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC(N)C3)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-5-11-19(12-6-15)27(25,26)22(2)18-9-7-16(8-10-18)20(24)23-13-3-4-17(21)14-23;/h5-12,17H,3-4,13-14,21H2,1-2H3;1H
InChIKeyGCLLZLFLFLBHIJ-UHFFFAOYSA-N
XLogP2.81
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 56561398
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 125043302
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride (CID 119380856) is N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC(N)C3)cc2)cc1.Cl.
What is the InChIKey of N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is GCLLZLFLFLBHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-15-5-11-19(12-6-15)27(25,26)22(2)18-9-7-16(8-10-18)20(24)23-13-3-4-17(21)14-23;/h5-12,17H,3-4,13-14,21H2,1-2H3;1H.
What are the key properties of N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride?
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119380856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).