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

C19H23N3O3S — CID 119373314

IUPAC3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(N)CC3)c2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-4-2-6-17(12-14)21-26(24,25)18-7-3-5-15(13-18)19(23)22-10-8-16(20)9-11-22/h2-7,12-13,16,21H,8-11,20H2,1H3
InChIKeyAEFVSASDBNTWKY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.36
Rot. Bonds4

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

3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 119373314) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID119373314
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(N)CC3)c2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-4-2-6-17(12-14)21-26(24,25)18-7-3-5-15(13-18)19(23)22-10-8-16(20)9-11-22/h2-7,12-13,16,21H,8-11,20H2,1H3
InChIKeyAEFVSASDBNTWKY-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

N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 119375503
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119474946
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 119649020
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide (CID 119373314) is 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(N)CC3)c2)c1.
What is the InChIKey of 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is AEFVSASDBNTWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-4-2-6-17(12-14)21-26(24,25)18-7-3-5-15(13-18)19(23)22-10-8-16(20)9-11-22/h2-7,12-13,16,21H,8-11,20H2,1H3.
What are the key properties of 3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
3-(4-aminopiperidine-1-carbonyl)-N-(3-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-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 119373314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).