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

C12H19NO4S — CID 15943934

IUPAC4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C12H19NO4S/c1-9-8-12(10(2)7-11(9)17-4)18(14,15)13-5-6-16-3/h7-8,13H,5-6H2,1-4H3
InChIKeyHSDYYQQJLSOKDB-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.24
Rot. Bonds6

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

4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 15943934) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
PubChem CID15943934
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C12H19NO4S/c1-9-8-12(10(2)7-11(9)17-4)18(14,15)13-5-6-16-3/h7-8,13H,5-6H2,1-4H3
InChIKeyHSDYYQQJLSOKDB-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

4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 110757792
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide (CID 15943934) is 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide is COCCNS(=O)(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is HSDYYQQJLSOKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9-8-12(10(2)7-11(9)17-4)18(14,15)13-5-6-16-3/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide?
4-methoxy-N-(2-methoxyethyl)-2,5-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 4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 15943934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).