2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate

C19H21ClN2O6S — CID 46815086

IUPAC2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCOc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O6S/c20-16-3-1-2-4-18(16)27-11-12-28-19(23)15-13-14(29(21,24)25)5-6-17(15)22-7-9-26-10-8-22/h1-6,13H,7-12H2,(H2,21,24,25)
InChIKeyJYBHHIILULUKJO-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.06
Rot. Bonds7

About 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate

2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate (PubChem CID 46815086) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
PubChem CID46815086
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC Name2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCOc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O6S/c20-16-3-1-2-4-18(16)27-11-12-28-19(23)15-13-14(29(21,24)25)5-6-17(15)22-7-9-26-10-8-22/h1-6,13H,7-12H2,(H2,21,24,25)
InChIKeyJYBHHIILULUKJO-UHFFFAOYSA-N
XLogP2.06
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815028
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate
CID 9118295
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55971836
(4-tert-butylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815045
2-(2-chlorophenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2640644
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
[3-(trifluoromethyl)phenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815099
3-phenoxypropyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55568899
N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 27839021
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate (CID 46815086) is 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate is NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCOc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
The InChIKey is JYBHHIILULUKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c20-16-3-1-2-4-18(16)27-11-12-28-19(23)15-13-14(29(21,24)25)5-6-17(15)22-7-9-26-10-8-22/h1-6,13H,7-12H2,(H2,21,24,25).
What are the key properties of 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate has a molecular weight of 440.91 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate is sourced from PubChem (CID 46815086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).