2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C17H28N2O5S — CID 2266596

IUPAC2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C17H28N2O5S/c1-3-23-15-6-7-16(24-4-2)17(14-15)25(20,21)18-8-5-9-19-10-12-22-13-11-19/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyWMEKQFKMRCGLAJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.48
Rot. Bonds10

About 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2266596) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2266596
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C17H28N2O5S/c1-3-23-15-6-7-16(24-4-2)17(14-15)25(20,21)18-8-5-9-19-10-12-22-13-11-19/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyWMEKQFKMRCGLAJ-UHFFFAOYSA-N
XLogP1.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
3-fluoro-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 6471347
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
Ethyl 4-[(2,5-diethoxyphenyl)sulfonyl]piperazine-1-carboxylate
CID 1260938
4-[2-(Morpholin-4-yl)ethoxy]benzene-1-sulfonamide
CID 18971452
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
4-(3-Ethoxy-4-fluorophenyl)sulfonylmorpholine
CID 934719
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
CID 971615
1-[4-(2,5-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 16319787

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2266596) is 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is WMEKQFKMRCGLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-3-23-15-6-7-16(24-4-2)17(14-15)25(20,21)18-8-5-9-19-10-12-22-13-11-19/h6-7,14,18H,3-5,8-13H2,1-2H3.
What are the key properties of 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2266596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).