6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide

C21H20N2O4S — CID 2112842

IUPAC6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2C(C)=O)nc1
InChIInChI=1S/C21H20N2O4S/c1-3-23(17-9-5-4-6-10-17)28(25,26)18-13-14-21(22-15-18)27-20-12-8-7-11-19(20)16(2)24/h4-15H,3H2,1-2H3
InChIKeyCKHKYOSQZVMLIG-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.29
Rot. Bonds7

About 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 2112842) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID2112842
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2C(C)=O)nc1
InChIInChI=1S/C21H20N2O4S/c1-3-23(17-9-5-4-6-10-17)28(25,26)18-13-14-21(22-15-18)27-20-12-8-7-11-19(20)16(2)24/h4-15H,3H2,1-2H3
InChIKeyCKHKYOSQZVMLIG-UHFFFAOYSA-N
XLogP4.29
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 2112842) is 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2C(C)=O)nc1.
What is the InChIKey of 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is CKHKYOSQZVMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-3-23(17-9-5-4-6-10-17)28(25,26)18-13-14-21(22-15-18)27-20-12-8-7-11-19(20)16(2)24/h4-15H,3H2,1-2H3.
What are the key properties of 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 2112842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).