2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide

C11H17NO4S — CID 43457343

IUPAC2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
SMILESCCOCCOc1ccc(C)cc1S(N)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-3-15-6-7-16-10-5-4-9(2)8-11(10)17(12,13)14/h4-5,8H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyRMVMBMNZAXNHOJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.06
Rot. Bonds6

About 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide

2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide (PubChem CID 43457343) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
PubChem CID43457343
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
SMILESCCOCCOc1ccc(C)cc1S(N)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-3-15-6-7-16-10-5-4-9(2)8-11(10)17(12,13)14/h4-5,8H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyRMVMBMNZAXNHOJ-UHFFFAOYSA-N
XLogP1.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.06
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

5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
2-(4-cyanobutoxy)-5-methylbenzenesulfonamide
CID 82921364
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
CID 43342428
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
5-methyl-2-[2-(3-methylbutoxy)ethoxy]benzenesulfonyl chloride
CID 61483543
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
ethyl 2-[2-(2-aminoethoxy)ethoxy]-4-methylbenzenesulfonate
CID 175036248

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide?
The IUPAC name of 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide (CID 43457343) is 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide is CCOCCOc1ccc(C)cc1S(N)(=O)=O.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide?
The InChIKey is RMVMBMNZAXNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-3-15-6-7-16-10-5-4-9(2)8-11(10)17(12,13)14/h4-5,8H,3,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide?
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide is sourced from PubChem (CID 43457343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).