(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate

C24H23NO5S — CID 2678971

IUPAC(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO5S/c1-3-25(4-2)31(28,29)22-16-12-20(13-17-22)24(27)30-21-14-10-19(11-15-21)23(26)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3
InChIKeyQQTFBMKLCVPRLQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.17
Rot. Bonds8

About (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate

(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate (PubChem CID 2678971) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
PubChem CID2678971
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO5S/c1-3-25(4-2)31(28,29)22-16-12-20(13-17-22)24(27)30-21-14-10-19(11-15-21)23(26)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3
InChIKeyQQTFBMKLCVPRLQ-UHFFFAOYSA-N
XLogP4.17
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.17
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-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
CID 2713487
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
[4-(2-methoxyethyl)phenyl] 4-(diethylsulfamoyl)benzoate
CID 8867429
(2,3,4,5,6-pentafluorophenyl) 4-(diethylsulfamoyl)benzoate
CID 19096174
1,3-benzodioxol-5-yl 4-(diethylsulfamoyl)benzoate
CID 2669371
phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2683510
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
(4-methoxycarbonylphenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8961276
[4-(diethylamino)phenyl] benzoate
CID 67071301

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate?
The IUPAC name of (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate (CID 2678971) is (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate?
The InChIKey is QQTFBMKLCVPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-3-25(4-2)31(28,29)22-16-12-20(13-17-22)24(27)30-21-14-10-19(11-15-21)23(26)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3.
What are the key properties of (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate?
(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate has a molecular weight of 437.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2678971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).