[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate

C15H18Cl2N2O6S — CID 4278438

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
SMILESCC1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C15H18Cl2N2O6S/c1-8-5-19(6-9(2)25-8)14(20)7-24-15(21)10-3-13(26(18,22)23)12(17)4-11(10)16/h3-4,8-9H,5-7H2,1-2H3,(H2,18,22,23)
InChIKeyLGILDKOVBIQHAN-UHFFFAOYSA-N
MW425.29 g/mol
LogP1.43
Rot. Bonds4

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate (PubChem CID 4278438) has the molecular formula C15H18Cl2N2O6S and a molecular weight of 425.29 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
PubChem CID4278438
Molecular FormulaC15H18Cl2N2O6S
Molecular Weight425.29 g/mol
Exact Mass424.03
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
SMILESCC1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C15H18Cl2N2O6S/c1-8-5-19(6-9(2)25-8)14(20)7-24-15(21)10-3-13(26(18,22)23)12(17)4-11(10)16/h3-4,8-9H,5-7H2,1-2H3,(H2,18,22,23)
InChIKeyLGILDKOVBIQHAN-UHFFFAOYSA-N
XLogP1.43
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate (CID 4278438) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate is CC1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
The InChIKey is LGILDKOVBIQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O6S/c1-8-5-19(6-9(2)25-8)14(20)7-24-15(21)10-3-13(26(18,22)23)12(17)4-11(10)16/h3-4,8-9H,5-7H2,1-2H3,(H2,18,22,23).
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate has a molecular weight of 425.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate is sourced from PubChem (CID 4278438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).