2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide

C17H19N3O2S — CID 71206572

IUPAC2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCCC1(C)C=C(c2ccccc2S(=O)(=O)Nc2cccnc2)N1
InChIInChI=1S/C17H19N3O2S/c1-3-17(2)11-15(19-17)14-8-4-5-9-16(14)23(21,22)20-13-7-6-10-18-12-13/h4-12,19-20H,3H2,1-2H3
InChIKeyZKXBZHPVEZXUNO-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide

2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 71206572) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID71206572
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCCC1(C)C=C(c2ccccc2S(=O)(=O)Nc2cccnc2)N1
InChIInChI=1S/C17H19N3O2S/c1-3-17(2)11-15(19-17)14-8-4-5-9-16(14)23(21,22)20-13-7-6-10-18-12-13/h4-12,19-20H,3H2,1-2H3
InChIKeyZKXBZHPVEZXUNO-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide (CID 71206572) is 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide is CCC1(C)C=C(c2ccccc2S(=O)(=O)Nc2cccnc2)N1.
What is the InChIKey of 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is ZKXBZHPVEZXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-17(2)11-15(19-17)14-8-4-5-9-16(14)23(21,22)20-13-7-6-10-18-12-13/h4-12,19-20H,3H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide?
2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 71206572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).