2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide

C11H17NO5S — CID 2931143

IUPAC2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C11H17NO5S/c1-15-7-6-12-18(13,14)11-8-9(16-2)4-5-10(11)17-3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyVBSWBNNMDOBOFL-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.63
Rot. Bonds7

About 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide

2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 2931143) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID2931143
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C11H17NO5S/c1-15-7-6-12-18(13,14)11-8-9(16-2)4-5-10(11)17-3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyVBSWBNNMDOBOFL-UHFFFAOYSA-N
XLogP0.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 2931143) is 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is VBSWBNNMDOBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-15-7-6-12-18(13,14)11-8-9(16-2)4-5-10(11)17-3/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2931143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).