[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate

C24H22FNO5S — CID 2713487

IUPAC[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C24H22FNO5S/c1-3-26(4-2)32(29,30)22-7-5-6-19(16-22)24(28)31-21-14-10-18(11-15-21)23(27)17-8-12-20(25)13-9-17/h5-16H,3-4H2,1-2H3
InChIKeyLCWLDLXDGSTYFJ-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.31
Rot. Bonds8

About [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate

[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 2713487) has the molecular formula C24H22FNO5S and a molecular weight of 455.51 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
PubChem CID2713487
Molecular FormulaC24H22FNO5S
Molecular Weight455.51 g/mol
Exact Mass455.12
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C24H22FNO5S/c1-3-26(4-2)32(29,30)22-7-5-6-19(16-22)24(28)31-21-14-10-18(11-15-21)23(27)17-8-12-20(25)13-9-17/h5-16H,3-4H2,1-2H3
InChIKeyLCWLDLXDGSTYFJ-UHFFFAOYSA-N
XLogP4.31
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
CID 8764876
(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
CID 2678971
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
CID 7970040
(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
CID 8753259
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
[4-(1,3,4-oxadiazol-2-yl)phenyl] 3-(diethylsulfamoyl)benzoate
CID 16551650
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
CID 1250260
[4-(4-fluorobenzoyl)phenyl] 3-nitrobenzoate
CID 2713472
(4-butoxycarbonylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 8802721

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate (CID 2713487) is [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is LCWLDLXDGSTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5S/c1-3-26(4-2)32(29,30)22-7-5-6-19(16-22)24(28)31-21-14-10-18(11-15-21)23(27)17-8-12-20(25)13-9-17/h5-16H,3-4H2,1-2H3.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate?
[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 455.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2713487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).