(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate

C17H14ClNO6S — CID 41423260

IUPAC(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H14ClNO6S/c1-26(23,24)14-9-12(7-8-13(14)18)17(22)25-10-15(20)19-16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyOWDQZXQMKOLIHK-UHFFFAOYSA-N
MW395.82 g/mol
LogP1.86
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate

(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate (PubChem CID 41423260) has the molecular formula C17H14ClNO6S and a molecular weight of 395.82 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate
PubChem CID41423260
Molecular FormulaC17H14ClNO6S
Molecular Weight395.82 g/mol
Exact Mass395.02
IUPAC Name(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H14ClNO6S/c1-26(23,24)14-9-12(7-8-13(14)18)17(22)25-10-15(20)19-16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyOWDQZXQMKOLIHK-UHFFFAOYSA-N
XLogP1.86
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510458
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-chloro-3-methylsulfonylbenzoate
CID 41423539
(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523778
(2-benzamido-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836877
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-chloro-3-methylsulfonylbenzoate
CID 27270268
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-chloro-3-methylsulfonylbenzoate
CID 55312037
(2-benzamido-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate
CID 7849505
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-chloro-3-methylsulfonylbenzoate
CID 41423703

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate (CID 41423260) is (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate is CS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate?
The InChIKey is OWDQZXQMKOLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO6S/c1-26(23,24)14-9-12(7-8-13(14)18)17(22)25-10-15(20)19-16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate?
(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate has a molecular weight of 395.82 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate is sourced from PubChem (CID 41423260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).