[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate

C16H14ClNO5S — CID 51530614

IUPAC[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H14ClNO5S/c1-24(21,22)11-7-8-13(17)12(9-11)16(20)23-14(15(18)19)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,18,19)/t14-/m1/s1
InChIKeyBAJJZBCBRRXYTI-CQSZACIVSA-N
MW367.81 g/mol
LogP2.13
Rot. Bonds5

About [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate

[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate (PubChem CID 51530614) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate.

Molecular Properties

Compound Name[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
PubChem CID51530614
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC Name[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H14ClNO5S/c1-24(21,22)11-7-8-13(17)12(9-11)16(20)23-14(15(18)19)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,18,19)/t14-/m1/s1
InChIKeyBAJJZBCBRRXYTI-CQSZACIVSA-N
XLogP2.13
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 8603248
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517587
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 42931304
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517612
(2-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate
CID 42985828
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502430
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 8600721
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503150
(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
CID 18138363
1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521782
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 42894244
(2-methoxy-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 43023367

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate?
The IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate (CID 51530614) is [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate.
What is the SMILES notation for [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate?
The canonical SMILES for [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate is CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate?
The InChIKey is BAJJZBCBRRXYTI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c1-24(21,22)11-7-8-13(17)12(9-11)16(20)23-14(15(18)19)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,18,19)/t14-/m1/s1.
What are the key properties of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate?
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate has a molecular weight of 367.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate is sourced from PubChem (CID 51530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).