4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C16H20N2O3S — CID 850049

IUPAC4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C
InChIInChI=1S/C16H20N2O3S/c1-4-21-15-8-9-16(13(3)12(15)2)22(19,20)18-11-14-7-5-6-10-17-14/h5-10,18H,4,11H2,1-3H3
InChIKeyOREBCGUMJFXXCL-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.58
Rot. Bonds6

About 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 850049) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID850049
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C
InChIInChI=1S/C16H20N2O3S/c1-4-21-15-8-9-16(13(3)12(15)2)22(19,20)18-11-14-7-5-6-10-17-14/h5-10,18H,4,11H2,1-3H3
InChIKeyOREBCGUMJFXXCL-UHFFFAOYSA-N
XLogP2.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)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-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 850049) is 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C.
What is the InChIKey of 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OREBCGUMJFXXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-21-15-8-9-16(13(3)12(15)2)22(19,20)18-11-14-7-5-6-10-17-14/h5-10,18H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 850049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).