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

C19H23N3O3S — CID 119380154

IUPAC3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC(N)C3)c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-7-9-17(10-8-14)21-26(24,25)18-6-2-4-15(12-18)19(23)22-11-3-5-16(20)13-22/h2,4,6-10,12,16,21H,3,5,11,13,20H2,1H3
InChIKeyLWFUJEIVKXBXCM-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.36
Rot. Bonds4

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

3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 119380154) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID119380154
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC(N)C3)c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-7-9-17(10-8-14)21-26(24,25)18-6-2-4-15(12-18)19(23)22-11-3-5-16(20)13-22/h2,4,6-10,12,16,21H,3,5,11,13,20H2,1H3
InChIKeyLWFUJEIVKXBXCM-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

4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55955437
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide (CID 119380154) is 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC(N)C3)c2)cc1.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is LWFUJEIVKXBXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-7-9-17(10-8-14)21-26(24,25)18-6-2-4-15(12-18)19(23)22-11-3-5-16(20)13-22/h2,4,6-10,12,16,21H,3,5,11,13,20H2,1H3.
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
3-(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 3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 119380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).