N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide

C21H26N2O4S — CID 108563470

IUPACN-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-5-16(2)20(14-15)28(25,26)22-18-10-12-23(13-11-18)21(24)17-6-8-19(27-3)9-7-17/h4-9,14,18,22H,10-13H2,1-3H3
InChIKeyUNGUVAQWKWFBOT-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 108563470) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID108563470
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-5-16(2)20(14-15)28(25,26)22-18-10-12-23(13-11-18)21(24)17-6-8-19(27-3)9-7-17/h4-9,14,18,22H,10-13H2,1-3H3
InChIKeyUNGUVAQWKWFBOT-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

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 46380415
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108565930
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide (CID 108563470) is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide is COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is UNGUVAQWKWFBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-4-5-16(2)20(14-15)28(25,26)22-18-10-12-23(13-11-18)21(24)17-6-8-19(27-3)9-7-17/h4-9,14,18,22H,10-13H2,1-3H3.
What are the key properties of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide?
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide 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-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 108563470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).