4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C14H16N2O4S — CID 2424901

IUPAC4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C14H16N2O4S/c1-3-20-12-5-7-13(8-6-12)21(17,18)16-11-4-9-14(19-2)15-10-11/h4-10,16H,3H2,1-2H3
InChIKeyMSPBEMPETHLNJT-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.29
Rot. Bonds6

About 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 2424901) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID2424901
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C14H16N2O4S/c1-3-20-12-5-7-13(8-6-12)21(17,18)16-11-4-9-14(19-2)15-10-11/h4-10,16H,3H2,1-2H3
InChIKeyMSPBEMPETHLNJT-UHFFFAOYSA-N
XLogP2.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 2424901) is 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(OC)nc2)cc1.
What is the InChIKey of 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is MSPBEMPETHLNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-20-12-5-7-13(8-6-12)21(17,18)16-11-4-9-14(19-2)15-10-11/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2424901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).