2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate

C17H17ClN2O6S — CID 8837159

IUPAC2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
SMILESNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O6S/c18-13-3-5-14(6-4-13)25-9-10-26-17(22)12-1-7-15(8-2-12)27(23,24)20-11-16(19)21/h1-8,20H,9-11H2,(H2,19,21)
InChIKeyGRGYHCOAMQDXEF-UHFFFAOYSA-N
MW412.85 g/mol
LogP1.34
Rot. Bonds9

About 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate

2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate (PubChem CID 8837159) has the molecular formula C17H17ClN2O6S and a molecular weight of 412.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
PubChem CID8837159
Molecular FormulaC17H17ClN2O6S
Molecular Weight412.85 g/mol
Exact Mass412.05
IUPAC Name2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
SMILESNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O6S/c18-13-3-5-14(6-4-13)25-9-10-26-17(22)12-1-7-15(8-2-12)27(23,24)20-11-16(19)21/h1-8,20H,9-11H2,(H2,19,21)
InChIKeyGRGYHCOAMQDXEF-UHFFFAOYSA-N
XLogP1.34
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 51.34
H-Bond Donors ≤ 52
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-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
CID 42328299
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
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
2-[(6-chloronaphthalen-2-yl)sulfonylamino]acetamide
CID 70140824
2-(4-chlorophenoxy)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807558
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
2-(4-chlorophenoxy)ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate
CID 41349157
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
2-(4-chlorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974148

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate (CID 8837159) is 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate is NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The InChIKey is GRGYHCOAMQDXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6S/c18-13-3-5-14(6-4-13)25-9-10-26-17(22)12-1-7-15(8-2-12)27(23,24)20-11-16(19)21/h1-8,20H,9-11H2,(H2,19,21).
What are the key properties of 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate has a molecular weight of 412.85 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate is sourced from PubChem (CID 8837159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).