4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide

C11H17NO4S — CID 43164561

IUPAC4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
SMILESCOCCOc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H17NO4S/c1-8-7-11(17(12,13)14)9(2)6-10(8)16-5-4-15-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyDRXZZTDPJIPSDU-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.98
Rot. Bonds5

About 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide

4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide (PubChem CID 43164561) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
PubChem CID43164561
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
SMILESCOCCOc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C11H17NO4S/c1-8-7-11(17(12,13)14)9(2)6-10(8)16-5-4-15-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyDRXZZTDPJIPSDU-UHFFFAOYSA-N
XLogP0.98
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 43134390
N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]propanamide
CID 110315366
4-(3-methoxypropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 60925970
4-but-2-ynoxy-2,5-dimethylbenzenesulfonamide
CID 82912944
N-[2-(2,5-dimethyl-4-sulfamoylphenoxy)ethyl]cyclopropanecarboxamide
CID 110315369
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528545
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
2,4,5-trimethylbenzenesulfonamide
CID 961422
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide (CID 43164561) is 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide is COCCOc1cc(C)c(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide?
The InChIKey is DRXZZTDPJIPSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8-7-11(17(12,13)14)9(2)6-10(8)16-5-4-15-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide?
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43164561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).