methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate

C22H28N2O8S — CID 55879787

IUPACmethyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C22H28N2O8S/c1-4-31-20-14-18(24-8-10-30-11-9-24)21(32-5-2)13-17(20)23-33(27,28)15-6-7-19(25)16(12-15)22(26)29-3/h6-7,12-14,23,25H,4-5,8-11H2,1-3H3
InChIKeyXZBPJGOOWRVOFA-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.61
Rot. Bonds9

About methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate

methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate (PubChem CID 55879787) has the molecular formula C22H28N2O8S and a molecular weight of 480.54 g/mol. Its IUPAC name is methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
PubChem CID55879787
Molecular FormulaC22H28N2O8S
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Namemethyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C22H28N2O8S/c1-4-31-20-14-18(24-8-10-30-11-9-24)21(32-5-2)13-17(20)23-33(27,28)15-6-7-19(25)16(12-15)22(26)29-3/h6-7,12-14,23,25H,4-5,8-11H2,1-3H3
InChIKeyXZBPJGOOWRVOFA-UHFFFAOYSA-N
XLogP2.61
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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)benzenesulfonamide
CID 2747437
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 3691440
N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 4847534
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008110
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 3701408

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate (CID 55879787) is methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(O)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate?
The InChIKey is XZBPJGOOWRVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8S/c1-4-31-20-14-18(24-8-10-30-11-9-24)21(32-5-2)13-17(20)23-33(27,28)15-6-7-19(25)16(12-15)22(26)29-3/h6-7,12-14,23,25H,4-5,8-11H2,1-3H3.
What are the key properties of methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate?
methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate has a molecular weight of 480.54 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate is sourced from PubChem (CID 55879787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).