[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate

C22H16ClF2NO5S — CID 42967337

IUPAC[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
SMILESO=C(OCC(=O)c1cc(F)ccc1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H16ClF2NO5S/c23-18-8-6-15(10-21(18)32(29,30)26-12-14-4-2-1-3-5-14)22(28)31-13-20(27)17-11-16(24)7-9-19(17)25/h1-11,26H,12-13H2
InChIKeyAVJVTZXMIMEHMG-UHFFFAOYSA-N
MW479.89 g/mol
LogP4.14
Rot. Bonds8

About [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate

[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate (PubChem CID 42967337) has the molecular formula C22H16ClF2NO5S and a molecular weight of 479.89 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
PubChem CID42967337
Molecular FormulaC22H16ClF2NO5S
Molecular Weight479.89 g/mol
Exact Mass479.04
IUPAC Name[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
SMILESO=C(OCC(=O)c1cc(F)ccc1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H16ClF2NO5S/c23-18-8-6-15(10-21(18)32(29,30)26-12-14-4-2-1-3-5-14)22(28)31-13-20(27)17-11-16(24)7-9-19(17)25/h1-11,26H,12-13H2
InChIKeyAVJVTZXMIMEHMG-UHFFFAOYSA-N
XLogP4.14
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2383122
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599452
2-methylprop-2-enyl 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 18098555
(3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599563
[2-(4-hydroxyanilino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 27908389
[2-(cyclohexylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599580
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 4655574
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2669000
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 4839089

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate?
The IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate (CID 42967337) is [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate.
What is the SMILES notation for [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate?
The canonical SMILES for [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate is O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate?
The InChIKey is AVJVTZXMIMEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2NO5S/c23-18-8-6-15(10-21(18)32(29,30)26-12-14-4-2-1-3-5-14)22(28)31-13-20(27)17-11-16(24)7-9-19(17)25/h1-11,26H,12-13H2.
What are the key properties of [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate?
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate has a molecular weight of 479.89 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate is sourced from PubChem (CID 42967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).