phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate

C22H19NO5S — CID 46675318

IUPACphenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO5S/c1-16-7-11-19(12-8-16)23-29(26,27)20-13-9-18(10-14-20)22(25)28-15-21(24)17-5-3-2-4-6-17/h2-14,23H,15H2,1H3
InChIKeyIGDZOOVVVATVGN-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.84
Rot. Bonds7

About phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate

phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 46675318) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namephenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID46675318
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Namephenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO5S/c1-16-7-11-19(12-8-16)23-29(26,27)20-13-9-18(10-14-20)22(25)28-15-21(24)17-5-3-2-4-6-17/h2-14,23H,15H2,1H3
InChIKeyIGDZOOVVVATVGN-UHFFFAOYSA-N
XLogP3.84
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] 3-fluorobenzoate
CID 19132510
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512361
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 2401848
[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 55380270
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511770
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 30036270
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511945
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2346974
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 46675318) is phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is IGDZOOVVVATVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-16-7-11-19(12-8-16)23-29(26,27)20-13-9-18(10-14-20)22(25)28-15-21(24)17-5-3-2-4-6-17/h2-14,23H,15H2,1H3.
What are the key properties of phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 409.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 46675318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).