phenacyl 3-(benzylsulfamoyl)benzoate

C22H19NO5S — CID 2411894

IUPACphenacyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H19NO5S/c24-21(18-10-5-2-6-11-18)16-28-22(25)19-12-7-13-20(14-19)29(26,27)23-15-17-8-3-1-4-9-17/h1-14,23H,15-16H2
InChIKeySUOXBGCESNKQPT-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.20
Rot. Bonds8

About phenacyl 3-(benzylsulfamoyl)benzoate

phenacyl 3-(benzylsulfamoyl)benzoate (PubChem CID 2411894) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is phenacyl 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Namephenacyl 3-(benzylsulfamoyl)benzoate
PubChem CID2411894
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Namephenacyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H19NO5S/c24-21(18-10-5-2-6-11-18)16-28-22(25)19-12-7-13-20(14-19)29(26,27)23-15-17-8-3-1-4-9-17/h1-14,23H,15-16H2
InChIKeySUOXBGCESNKQPT-UHFFFAOYSA-N
XLogP3.20
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(benzylsulfamoyl)benzoate?
The IUPAC name of phenacyl 3-(benzylsulfamoyl)benzoate (CID 2411894) is phenacyl 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for phenacyl 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for phenacyl 3-(benzylsulfamoyl)benzoate is O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of phenacyl 3-(benzylsulfamoyl)benzoate?
The InChIKey is SUOXBGCESNKQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c24-21(18-10-5-2-6-11-18)16-28-22(25)19-12-7-13-20(14-19)29(26,27)23-15-17-8-3-1-4-9-17/h1-14,23H,15-16H2.
What are the key properties of phenacyl 3-(benzylsulfamoyl)benzoate?
phenacyl 3-(benzylsulfamoyl)benzoate has a molecular weight of 409.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 2411894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).