N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide

C12H19NO3S — CID 2057946

IUPACN-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H19NO3S/c1-9-7-10(2)12(11(3)8-9)17(14,15)13-5-6-16-4/h7-8,13H,5-6H2,1-4H3
InChIKeyWOYRSWOYWLFJRE-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.54
Rot. Bonds5

About N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2057946) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID2057946
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H19NO3S/c1-9-7-10(2)12(11(3)8-9)17(14,15)13-5-6-16-4/h7-8,13H,5-6H2,1-4H3
InChIKeyWOYRSWOYWLFJRE-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide (CID 2057946) is N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide is COCCNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is WOYRSWOYWLFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9-7-10(2)12(11(3)8-9)17(14,15)13-5-6-16-4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2057946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).