2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate

C19H22ClNO6S — CID 2648928

IUPAC2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCCOc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C19H22ClNO6S/c1-4-25-14-5-7-15(8-6-14)26-11-12-27-19(22)17-13-16(9-10-18(17)20)28(23,24)21(2)3/h5-10,13H,4,11-12H2,1-3H3
InChIKeyDXXKJRKITDRLJY-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.22
Rot. Bonds9

About 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate

2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 2648928) has the molecular formula C19H22ClNO6S and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID2648928
Molecular FormulaC19H22ClNO6S
Molecular Weight427.91 g/mol
Exact Mass427.09
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCCOc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C19H22ClNO6S/c1-4-25-14-5-7-15(8-6-14)26-11-12-27-19(22)17-13-16(9-10-18(17)20)28(23,24)21(2)3/h5-10,13H,4,11-12H2,1-3H3
InChIKeyDXXKJRKITDRLJY-UHFFFAOYSA-N
XLogP3.22
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524474
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-chloro-4-nitrobenzoate
CID 32707326
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510318
2-(3-chlorophenoxy)ethyl 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 16531783
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-amino-4-fluorobenzoate
CID 25486421
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-bromo-2-fluorobenzoate
CID 33077530
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 2648928) is 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate is CCOc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is DXXKJRKITDRLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO6S/c1-4-25-14-5-7-15(8-6-14)26-11-12-27-19(22)17-13-16(9-10-18(17)20)28(23,24)21(2)3/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 427.91 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2648928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).