4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

C16H19NO4S — CID 868666

IUPAC4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-20-14-5-3-13(4-6-14)11-12-17-22(18,19)16-9-7-15(21-2)8-10-16/h3-10,17H,11-12H2,1-2H3
InChIKeyOBJJVDWZGCVDCO-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds7

About 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 868666) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID868666
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-20-14-5-3-13(4-6-14)11-12-17-22(18,19)16-9-7-15(21-2)8-10-16/h3-10,17H,11-12H2,1-2H3
InChIKeyOBJJVDWZGCVDCO-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 868666) is 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is OBJJVDWZGCVDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-14-5-3-13(4-6-14)11-12-17-22(18,19)16-9-7-15(21-2)8-10-16/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 868666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).