2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate

C17H18ClNO5S — CID 42328299

IUPAC2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO5S/c1-2-19-25(21,22)16-9-3-13(4-10-16)17(20)24-12-11-23-15-7-5-14(18)6-8-15/h3-10,19H,2,11-12H2,1H3
InChIKeyJOHVYBDAOFQNTG-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.87
Rot. Bonds8

About 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate

2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate (PubChem CID 42328299) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
PubChem CID42328299
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO5S/c1-2-19-25(21,22)16-9-3-13(4-10-16)17(20)24-12-11-23-15-7-5-14(18)6-8-15/h3-10,19H,2,11-12H2,1H3
InChIKeyJOHVYBDAOFQNTG-UHFFFAOYSA-N
XLogP2.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
CID 8837159
2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3441171
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
2-(4-chlorophenoxy)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807558
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
2-(4-chlorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974148
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate (CID 42328299) is 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate?
The InChIKey is JOHVYBDAOFQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-2-19-25(21,22)16-9-3-13(4-10-16)17(20)24-12-11-23-15-7-5-14(18)6-8-15/h3-10,19H,2,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate?
2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate has a molecular weight of 383.85 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 42328299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).