4-(2,5-diethoxyphenyl)sulfonylmorpholine

C14H21NO5S — CID 778396

IUPAC4-(2,5-diethoxyphenyl)sulfonylmorpholine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H21NO5S/c1-3-19-12-5-6-13(20-4-2)14(11-12)21(16,17)15-7-9-18-10-8-15/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyJEUWLNGDAJKRKT-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.50
Rot. Bonds6

About 4-(2,5-diethoxyphenyl)sulfonylmorpholine

4-(2,5-diethoxyphenyl)sulfonylmorpholine (PubChem CID 778396) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(2,5-diethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,5-diethoxyphenyl)sulfonylmorpholine
PubChem CID778396
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name4-(2,5-diethoxyphenyl)sulfonylmorpholine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H21NO5S/c1-3-19-12-5-6-13(20-4-2)14(11-12)21(16,17)15-7-9-18-10-8-15/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyJEUWLNGDAJKRKT-UHFFFAOYSA-N
XLogP1.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
1-(Benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 23607722
Ethyl 4-[(2,5-diethoxyphenyl)sulfonyl]piperazine-1-carboxylate
CID 1260938
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-[2-(Morpholin-4-yl)ethoxy]benzene-1-sulfonamide
CID 18971452
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
4-(4-Fluoro-3-methoxyphenyl)sulfonylmorpholine
CID 655210

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,5-diethoxyphenyl)sulfonylmorpholine (CID 778396) is 4-(2,5-diethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,5-diethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,5-diethoxyphenyl)sulfonylmorpholine is CCOc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-(2,5-diethoxyphenyl)sulfonylmorpholine?
The InChIKey is JEUWLNGDAJKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-3-19-12-5-6-13(20-4-2)14(11-12)21(16,17)15-7-9-18-10-8-15/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(2,5-diethoxyphenyl)sulfonylmorpholine?
4-(2,5-diethoxyphenyl)sulfonylmorpholine has a molecular weight of 315.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 778396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).