[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate

C15H12Cl2N2O5S — CID 7723007

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O5S/c16-9-4-5-13(17)12(6-9)15(21)24-8-14(20)19-10-2-1-3-11(7-10)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23)
InChIKeyYTDHWVKAJGLCSP-UHFFFAOYSA-N
MW403.24 g/mol
LogP2.44
Rot. Bonds5

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate (PubChem CID 7723007) has the molecular formula C15H12Cl2N2O5S and a molecular weight of 403.24 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
PubChem CID7723007
Molecular FormulaC15H12Cl2N2O5S
Molecular Weight403.24 g/mol
Exact Mass401.98
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O5S/c16-9-4-5-13(17)12(6-9)15(21)24-8-14(20)19-10-2-1-3-11(7-10)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23)
InChIKeyYTDHWVKAJGLCSP-UHFFFAOYSA-N
XLogP2.44
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 55311692
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-nitrobenzoate
CID 3987525
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
[2-(3-ethylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993763
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate
CID 71904864
[2-(3-nitroanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 2466637
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993772
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615503

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate (CID 7723007) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate?
The InChIKey is YTDHWVKAJGLCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O5S/c16-9-4-5-13(17)12(6-9)15(21)24-8-14(20)19-10-2-1-3-11(7-10)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate has a molecular weight of 403.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 7723007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).