4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide

C19H23N3O3S — CID 119380159

IUPAC4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC(N)C3)cc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-4-8-17(9-5-14)21-26(24,25)18-10-6-15(7-11-18)19(23)22-12-2-3-16(20)13-22/h4-11,16,21H,2-3,12-13,20H2,1H3
InChIKeyQLEYWOOOWSCUEA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.36
Rot. Bonds4

About 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide

4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 119380159) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID119380159
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC(N)C3)cc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-4-8-17(9-5-14)21-26(24,25)18-10-6-15(7-11-18)19(23)22-12-2-3-16(20)13-22/h4-11,16,21H,2-3,12-13,20H2,1H3
InChIKeyQLEYWOOOWSCUEA-UHFFFAOYSA-N
XLogP2.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 119541041
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide (CID 119380159) is 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC(N)C3)cc2)cc1.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is QLEYWOOOWSCUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-4-8-17(9-5-14)21-26(24,25)18-10-6-15(7-11-18)19(23)22-12-2-3-16(20)13-22/h4-11,16,21H,2-3,12-13,20H2,1H3.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 119380159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).