[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate

C21H15Cl2NO5S — CID 16521702

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NO5S/c22-15-7-5-14(6-8-15)20(25)13-29-21(26)18-3-1-2-4-19(18)24-30(27,28)17-11-9-16(23)10-12-17/h1-12,24H,13H2
InChIKeyGOSFTDPSOMMMLF-UHFFFAOYSA-N
MW464.33 g/mol
LogP4.83
Rot. Bonds7

About [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate (PubChem CID 16521702) has the molecular formula C21H15Cl2NO5S and a molecular weight of 464.33 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
PubChem CID16521702
Molecular FormulaC21H15Cl2NO5S
Molecular Weight464.33 g/mol
Exact Mass463.00
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NO5S/c22-15-7-5-14(6-8-15)20(25)13-29-21(26)18-3-1-2-4-19(18)24-30(27,28)17-11-9-16(23)10-12-17/h1-12,24H,13H2
InChIKeyGOSFTDPSOMMMLF-UHFFFAOYSA-N
XLogP4.83
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2637800
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42967797
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 4841701
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 16530203
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 4023259
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 42983014
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate (CID 16521702) is [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate is O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
The InChIKey is GOSFTDPSOMMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO5S/c22-15-7-5-14(6-8-15)20(25)13-29-21(26)18-3-1-2-4-19(18)24-30(27,28)17-11-9-16(23)10-12-17/h1-12,24H,13H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate has a molecular weight of 464.33 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16521702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).