[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate

C23H25Cl3N2O8S — CID 25041466

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)N3CC(C)OC(C)C3)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C23H25Cl3N2O8S/c1-12-9-28(10-13(2)36-12)22(29)11-35-23(30)14-5-21(17(26)6-15(14)24)37(31,32)27-18-7-16(25)19(33-3)8-20(18)34-4/h5-8,12-13,27H,9-11H2,1-4H3
InChIKeyYRTRHPFEZWKKGQ-UHFFFAOYSA-N
MW595.89 g/mol
LogP4.26
Rot. Bonds8

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate (PubChem CID 25041466) has the molecular formula C23H25Cl3N2O8S and a molecular weight of 595.89 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
PubChem CID25041466
Molecular FormulaC23H25Cl3N2O8S
Molecular Weight595.89 g/mol
Exact Mass594.04
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)N3CC(C)OC(C)C3)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C23H25Cl3N2O8S/c1-12-9-28(10-13(2)36-12)22(29)11-35-23(30)14-5-21(17(26)6-15(14)24)37(31,32)27-18-7-16(25)19(33-3)8-20(18)34-4/h5-8,12-13,27H,9-11H2,1-4H3
InChIKeyYRTRHPFEZWKKGQ-UHFFFAOYSA-N
XLogP4.26
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2368816
N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 2345083
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518493
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2346530
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoate
CID 25046588
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533468
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 16523608
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518383
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-[3,5-dichloro-4-[[2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoyl]amino]phenyl]benzamide
CID 3469523

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate (CID 25041466) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)N3CC(C)OC(C)C3)c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
The InChIKey is YRTRHPFEZWKKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O8S/c1-12-9-28(10-13(2)36-12)22(29)11-35-23(30)14-5-21(17(26)6-15(14)24)37(31,32)27-18-7-16(25)19(33-3)8-20(18)34-4/h5-8,12-13,27H,9-11H2,1-4H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate has a molecular weight of 595.89 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25041466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).