[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C17H17ClN2O6S — CID 8615503

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17ClN2O6S/c1-25-15-6-5-12(18)7-11(15)8-17(22)26-10-16(21)20-13-3-2-4-14(9-13)27(19,23)24/h2-7,9H,8,10H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyIHWNUJMWZWKSGG-UHFFFAOYSA-N
MW412.85 g/mol
LogP1.72
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8615503) has the molecular formula C17H17ClN2O6S and a molecular weight of 412.85 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8615503
Molecular FormulaC17H17ClN2O6S
Molecular Weight412.85 g/mol
Exact Mass412.05
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17ClN2O6S/c1-25-15-6-5-12(18)7-11(15)8-17(22)26-10-16(21)20-13-3-2-4-14(9-13)27(19,23)24/h2-7,9H,8,10H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyIHWNUJMWZWKSGG-UHFFFAOYSA-N
XLogP1.72
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903326
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196
4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 26580576

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8615503) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is IHWNUJMWZWKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6S/c1-25-15-6-5-12(18)7-11(15)8-17(22)26-10-16(21)20-13-3-2-4-14(9-13)27(19,23)24/h2-7,9H,8,10H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 412.85 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8615503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).