3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

C13H19N3O5S — CID 2810730

IUPAC3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCNC2=O)cc1OC
InChIInChI=1S/C13H19N3O5S/c1-20-11-4-3-10(9-12(11)21-2)22(18,19)15-6-8-16-7-5-14-13(16)17/h3-4,9,15H,5-8H2,1-2H3,(H,14,17)
InChIKeyRDDYTPQATBXWLS-UHFFFAOYSA-N
MW329.38 g/mol
LogP0.01
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 2810730) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID2810730
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCNC2=O)cc1OC
InChIInChI=1S/C13H19N3O5S/c1-20-11-4-3-10(9-12(11)21-2)22(18,19)15-6-8-16-7-5-14-13(16)17/h3-4,9,15H,5-8H2,1-2H3,(H,14,17)
InChIKeyRDDYTPQATBXWLS-UHFFFAOYSA-N
XLogP0.01
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-Dimethoxyphenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane
CID 1508673
3,4-Dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 969641
N~1~-cyclopropyl-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 969683
3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6470989
3-[(4-methoxyphenyl)sulfonyl]-N,N,2-trimethylimidazolidine-1-carboxamide
CID 6498838
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
CID 778310
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)sulfonyl]-1-piperazinecarboxamide
CID 1247264
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316831
N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 894186
N4-(2-{[(4-methoxyphenyl)sulfonyl]amino}ethyl)morpholine-4-carboxamide
CID 2725779
3-[(4-methoxyphenyl)sulfonyl]-N,N,2,5-tetramethylimidazolidine-1-carboxamide
CID 6498840
4-(3,4-Dimethoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 1129614

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (CID 2810730) is 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2CCNC2=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is RDDYTPQATBXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-20-11-4-3-10(9-12(11)21-2)22(18,19)15-6-8-16-7-5-14-13(16)17/h3-4,9,15H,5-8H2,1-2H3,(H,14,17).
What are the key properties of 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2810730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).