4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide

C19H23N3O3S — CID 119376026

IUPAC4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-4-2-3-5-18(14)21-26(24,25)17-8-6-15(7-9-17)19(23)22-12-10-16(20)11-13-22/h2-9,16,21H,10-13,20H2,1H3
InChIKeyWENHKQRYSCJRIU-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.36
Rot. Bonds4

About 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide

4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 119376026) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
PubChem CID119376026
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-4-2-3-5-18(14)21-26(24,25)17-8-6-15(7-9-17)19(23)22-12-10-16(20)11-13-22/h2-9,16,21H,10-13,20H2,1H3
InChIKeyWENHKQRYSCJRIU-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-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 9164303
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119411385
tert-butyl 4-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 31351989
N-(2-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283130
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
4-(4-cyanopiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 49064443
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide (CID 119376026) is 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is WENHKQRYSCJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-4-2-3-5-18(14)21-26(24,25)17-8-6-15(7-9-17)19(23)22-12-10-16(20)11-13-22/h2-9,16,21H,10-13,20H2,1H3.
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
4-(4-aminopiperidine-1-carbonyl)-N-(2-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-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 119376026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).