4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H16N2O3S — CID 676047

IUPAC4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-9-15-10-8-12/h3-10,16H,2,11H2,1H3
InChIKeyOEKPRBMHQAEAGG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.96
Rot. Bonds6

About 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 676047) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID676047
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-2-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-9-15-10-8-12/h3-10,16H,2,11H2,1H3
InChIKeyOEKPRBMHQAEAGG-UHFFFAOYSA-N
XLogP1.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 676047) is 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OEKPRBMHQAEAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-9-15-10-8-12/h3-10,16H,2,11H2,1H3.
What are the key properties of 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 676047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).