4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide

C13H21NO4S — CID 15943936

IUPAC4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCOC)c(C)c1C
InChIInChI=1S/C13H21NO4S/c1-5-18-12-6-7-13(11(3)10(12)2)19(15,16)14-8-9-17-4/h6-7,14H,5,8-9H2,1-4H3
InChIKeyRYVVNTKMYRGKCW-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.63
Rot. Bonds7

About 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide

4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 15943936) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
PubChem CID15943936
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCOC)c(C)c1C
InChIInChI=1S/C13H21NO4S/c1-5-18-12-6-7-13(11(3)10(12)2)19(15,16)14-8-9-17-4/h6-7,14H,5,8-9H2,1-4H3
InChIKeyRYVVNTKMYRGKCW-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.63
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

4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
4-[(4-ethoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 39845076
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 39776407
2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82913296
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide (CID 15943936) is 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCOC)c(C)c1C.
What is the InChIKey of 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is RYVVNTKMYRGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-18-12-6-7-13(11(3)10(12)2)19(15,16)14-8-9-17-4/h6-7,14H,5,8-9H2,1-4H3.
What are the key properties of 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide?
4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 15943936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).