4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide

C19H24N2O5S — CID 110359849

IUPAC4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2OC)cc1
InChIInChI=1S/C19H24N2O5S/c1-3-26-16-5-7-17(8-6-16)27(22,23)20-18-14-15(4-9-19(18)24-2)21-10-12-25-13-11-21/h4-9,14,20H,3,10-13H2,1-2H3
InChIKeyTZTUMYTUCWAPFL-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.73
Rot. Bonds7

About 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide

4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 110359849) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID110359849
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2OC)cc1
InChIInChI=1S/C19H24N2O5S/c1-3-26-16-5-7-17(8-6-16)27(22,23)20-18-14-15(4-9-19(18)24-2)21-10-12-25-13-11-21/h4-9,14,20H,3,10-13H2,1-2H3
InChIKeyTZTUMYTUCWAPFL-UHFFFAOYSA-N
XLogP2.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide (CID 110359849) is 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2OC)cc1.
What is the InChIKey of 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is TZTUMYTUCWAPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-26-16-5-7-17(8-6-16)27(22,23)20-18-14-15(4-9-19(18)24-2)21-10-12-25-13-11-21/h4-9,14,20H,3,10-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide?
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110359849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).