[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C16H14F2N2O5S — CID 2607644

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H14F2N2O5S/c1-19-26(23,24)11-5-2-4-10(8-11)16(22)25-9-14(21)20-15-12(17)6-3-7-13(15)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyVQYSQHVFBLOWHG-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.67
Rot. Bonds6

About [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 2607644) has the molecular formula C16H14F2N2O5S and a molecular weight of 384.36 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID2607644
Molecular FormulaC16H14F2N2O5S
Molecular Weight384.36 g/mol
Exact Mass384.06
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H14F2N2O5S/c1-19-26(23,24)11-5-2-4-10(8-11)16(22)25-9-14(21)20-15-12(17)6-3-7-13(15)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyVQYSQHVFBLOWHG-UHFFFAOYSA-N
XLogP1.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607717
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769
[2-(2-bromoanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607745
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607600
[2-(2-acetylanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2605794
[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2540998
[2-(2-fluoroanilino)-2-oxoethyl] 3-(tert-butylsulfamoyl)benzoate
CID 7975498
[2-(2-nitroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 4848891
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2417052
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 9320921
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2121145

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 2607644) is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is VQYSQHVFBLOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5S/c1-19-26(23,24)11-5-2-4-10(8-11)16(22)25-9-14(21)20-15-12(17)6-3-7-13(15)18/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 384.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2607644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).