propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate

C16H15F2NO4S — CID 22774734

IUPACpropyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO4S/c1-2-9-23-16(20)11-3-5-12(6-4-11)19-24(21,22)13-7-8-14(17)15(18)10-13/h3-8,10,19H,2,9H2,1H3
InChIKeyLFHSRMCUEIOBQL-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.33
Rot. Bonds6

About propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate

propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate (PubChem CID 22774734) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
PubChem CID22774734
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Namepropyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO4S/c1-2-9-23-16(20)11-3-5-12(6-4-11)19-24(21,22)13-7-8-14(17)15(18)10-13/h3-8,10,19H,2,9H2,1H3
InChIKeyLFHSRMCUEIOBQL-UHFFFAOYSA-N
XLogP3.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-[(3,4-difluorophenyl)sulfonylamino]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

(3,3-dimethyl-2-oxobutyl) 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25048331
(4-fluorophenyl)methyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036611
3-pyrazol-1-ylpropyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 86900926
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
propyl 4-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoate
CID 7999726
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
CID 43624126
butyl 4-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]benzoate
CID 35143705
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25043064
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
butyl 4-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 22774750

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate?
The IUPAC name of propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate (CID 22774734) is propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate is CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate?
The InChIKey is LFHSRMCUEIOBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-2-9-23-16(20)11-3-5-12(6-4-11)19-24(21,22)13-7-8-14(17)15(18)10-13/h3-8,10,19H,2,9H2,1H3.
What are the key properties of propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate?
propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate has a molecular weight of 355.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 22774734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).