N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide

C21H26N2O4S — CID 50823683

IUPACN-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-9-20(16(2)14-15)21(24)23-12-10-17(11-13-23)22-28(25,26)19-7-5-18(27-3)6-8-19/h4-9,14,17,22H,10-13H2,1-3H3
InChIKeyHYLUBZRIWFGHLH-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide

N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide (PubChem CID 50823683) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
PubChem CID50823683
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-9-20(16(2)14-15)21(24)23-12-10-17(11-13-23)22-28(25,26)19-7-5-18(27-3)6-8-19/h4-9,14,17,22H,10-13H2,1-3H3
InChIKeyHYLUBZRIWFGHLH-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 46380415
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide (CID 50823683) is N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
The InChIKey is HYLUBZRIWFGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-4-9-20(16(2)14-15)21(24)23-12-10-17(11-13-23)22-28(25,26)19-7-5-18(27-3)6-8-19/h4-9,14,17,22H,10-13H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide?
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 50823683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).