[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate

C23H20F2N2O6S — CID 2397792

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)Nc1ccccc1OC(F)F
InChIInChI=1S/C23H20F2N2O6S/c24-23(25)33-20-12-5-4-11-19(20)27-21(28)15-32-22(29)17-9-6-10-18(13-17)34(30,31)26-14-16-7-2-1-3-8-16/h1-13,23,26H,14-15H2,(H,27,28)
InChIKeyACPTVUKXNJNNBR-UHFFFAOYSA-N
MW490.48 g/mol
LogP3.56
Rot. Bonds10

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate (PubChem CID 2397792) has the molecular formula C23H20F2N2O6S and a molecular weight of 490.48 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
PubChem CID2397792
Molecular FormulaC23H20F2N2O6S
Molecular Weight490.48 g/mol
Exact Mass490.10
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)Nc1ccccc1OC(F)F
InChIInChI=1S/C23H20F2N2O6S/c24-23(25)33-20-12-5-4-11-19(20)27-21(28)15-32-22(29)17-9-6-10-18(13-17)34(30,31)26-14-16-7-2-1-3-8-16/h1-13,23,26H,14-15H2,(H,27,28)
InChIKeyACPTVUKXNJNNBR-UHFFFAOYSA-N
XLogP3.56
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate (CID 2397792) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate is O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The InChIKey is ACPTVUKXNJNNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O6S/c24-23(25)33-20-12-5-4-11-19(20)27-21(28)15-32-22(29)17-9-6-10-18(13-17)34(30,31)26-14-16-7-2-1-3-8-16/h1-13,23,26H,14-15H2,(H,27,28).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate has a molecular weight of 490.48 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 2397792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).