5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide

C12H19NO4S — CID 2137824

IUPAC5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C12H19NO4S/c1-9-7-10(2)12(8-11(9)17-4)18(14,15)13-5-6-16-3/h7-8,13H,5-6H2,1-4H3
InChIKeyGRXNVZCJURGILO-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.24
Rot. Bonds6

About 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide

5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 2137824) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
PubChem CID2137824
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C12H19NO4S/c1-9-7-10(2)12(8-11(9)17-4)18(14,15)13-5-6-16-3/h7-8,13H,5-6H2,1-4H3
InChIKeyGRXNVZCJURGILO-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-[1-(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725549
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 90656557
[(5-Ethoxy-2,4-dimethylphenyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 2235525
2,4,6-trimethyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 8401563
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153
N~2~,N~4~'-bis(2-hydroxyethyl)-4-methoxy[1,1'-biphenyl]-2,4'-disulfonamide
CID 71671446

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide (CID 2137824) is 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide is COCCNS(=O)(=O)c1cc(OC)c(C)cc1C.
What is the InChIKey of 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is GRXNVZCJURGILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9-7-10(2)12(8-11(9)17-4)18(14,15)13-5-6-16-3/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide?
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2137824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).