N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide

C20H26N2O5S — CID 2747437

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-3-26-19-15-18(22-10-12-25-13-11-22)20(27-4-2)14-17(19)21-28(23,24)16-8-6-5-7-9-16/h5-9,14-15,21H,3-4,10-13H2,1-2H3
InChIKeyXSIAIXUYDYNTRA-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.12
Rot. Bonds8

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 2747437) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID2747437
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-3-26-19-15-18(22-10-12-25-13-11-22)20(27-4-2)14-17(19)21-28(23,24)16-8-6-5-7-9-16/h5-9,14-15,21H,3-4,10-13H2,1-2H3
InChIKeyXSIAIXUYDYNTRA-UHFFFAOYSA-N
XLogP3.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3667102
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 3691440
methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
CID 55879787
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008110
5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 3701408
N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 4847534
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50832756
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide (CID 2747437) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is XSIAIXUYDYNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-26-19-15-18(22-10-12-25-13-11-22)20(27-4-2)14-17(19)21-28(23,24)16-8-6-5-7-9-16/h5-9,14-15,21H,3-4,10-13H2,1-2H3.
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2747437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).