2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide

C18H21N3O3S — CID 71206558

IUPAC2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide
SMILESCCOc1cncc(NS(=O)(=O)c2ccccc2C2=CC(C)(C)N2)c1
InChIInChI=1S/C18H21N3O3S/c1-4-24-14-9-13(11-19-12-14)21-25(22,23)17-8-6-5-7-15(17)16-10-18(2,3)20-16/h5-12,20-21H,4H2,1-3H3
InChIKeyZBZFECGOWZOYHY-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.00
Rot. Bonds6

About 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide

2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 71206558) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide
PubChem CID71206558
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide
SMILESCCOc1cncc(NS(=O)(=O)c2ccccc2C2=CC(C)(C)N2)c1
InChIInChI=1S/C18H21N3O3S/c1-4-24-14-9-13(11-19-12-14)21-25(22,23)17-8-6-5-7-15(17)16-10-18(2,3)20-16/h5-12,20-21H,4H2,1-3H3
InChIKeyZBZFECGOWZOYHY-UHFFFAOYSA-N
XLogP3.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 71206572
2-[(5-ethoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 58924036
N-[4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2-ethoxybenzenesulfonamide
CID 69201104
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
N-ethyl-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-propylbenzamide
CID 58924348
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 58924319
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
CID 122302123
N-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924321
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide (CID 71206558) is 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide is CCOc1cncc(NS(=O)(=O)c2ccccc2C2=CC(C)(C)N2)c1.
What is the InChIKey of 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is ZBZFECGOWZOYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-24-14-9-13(11-19-12-14)21-25(22,23)17-8-6-5-7-15(17)16-10-18(2,3)20-16/h5-12,20-21H,4H2,1-3H3.
What are the key properties of 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide?
2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1H-azet-2-yl)-N-(5-ethoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71206558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).