N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide

C12H19NO4S — CID 896384

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO4S/c1-4-18(14,15)13-8-7-10-5-6-11(16-2)12(9-10)17-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyVURAYTUBJCMHNH-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 896384) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide
PubChem CID896384
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO4S/c1-4-18(14,15)13-8-7-10-5-6-11(16-2)12(9-10)17-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyVURAYTUBJCMHNH-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide (CID 896384) is N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is VURAYTUBJCMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-4-18(14,15)13-8-7-10-5-6-11(16-2)12(9-10)17-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 896384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).