2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide

C20H25N3O4S — CID 58924081

IUPAC2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)N2CCCC(C)(C)C2)c1
InChIInChI=1S/C20H25N3O4S/c1-20(2)9-6-10-23(14-20)19(24)17-7-4-5-8-18(17)28(25,26)22-15-11-16(27-3)13-21-12-15/h4-5,7-8,11-13,22H,6,9-10,14H2,1-3H3
InChIKeyWQBQGKBLQKUMOM-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.15
Rot. Bonds5

About 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide

2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 58924081) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID58924081
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)N2CCCC(C)(C)C2)c1
InChIInChI=1S/C20H25N3O4S/c1-20(2)9-6-10-23(14-20)19(24)17-7-4-5-8-18(17)28(25,26)22-15-11-16(27-3)13-21-12-15/h4-5,7-8,11-13,22H,6,9-10,14H2,1-3H3
InChIKeyWQBQGKBLQKUMOM-UHFFFAOYSA-N
XLogP3.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
N-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
N-(2-hydroxyethyl)-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924202
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
2-[(1R,3R,6R,7R,9R)-9-(methoxymethyl)-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
CID 66889970
N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide
CID 143428101
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 58924319
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
N-[2-(2,5-difluorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924145
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide (CID 58924081) is 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide is COc1cncc(NS(=O)(=O)c2ccccc2C(=O)N2CCCC(C)(C)C2)c1.
What is the InChIKey of 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is WQBQGKBLQKUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-20(2)9-6-10-23(14-20)19(24)17-7-4-5-8-18(17)28(25,26)22-15-11-16(27-3)13-21-12-15/h4-5,7-8,11-13,22H,6,9-10,14H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 58924081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).