2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide

C14H16N2O3S — CID 934901

IUPAC2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C14H16N2O3S/c1-3-19-13-7-6-11(2)9-14(13)20(17,18)16-12-5-4-8-15-10-12/h4-10,16H,3H2,1-2H3
InChIKeyQPZBPJFUTKWAKA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.59
Rot. Bonds5

About 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide

2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 934901) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID934901
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C14H16N2O3S/c1-3-19-13-7-6-11(2)9-14(13)20(17,18)16-12-5-4-8-15-10-12/h4-10,16H,3H2,1-2H3
InChIKeyQPZBPJFUTKWAKA-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 934901) is 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is QPZBPJFUTKWAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-19-13-7-6-11(2)9-14(13)20(17,18)16-12-5-4-8-15-10-12/h4-10,16H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 934901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).