[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate

C18H19ClN2O5S — CID 8600721

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1
InChIInChI=1S/C18H19ClN2O5S/c1-20-27(24,25)13-9-10-15(19)14(11-13)18(23)26-16(17(22)21(2)3)12-7-5-4-6-8-12/h4-11,16,20H,1-3H3/t16-/m1/s1
InChIKeyGZUYSZBRPVLYSL-MRXNPFEDSA-N
MW410.88 g/mol
LogP2.23
Rot. Bonds6

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate (PubChem CID 8600721) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate
PubChem CID8600721
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1
InChIInChI=1S/C18H19ClN2O5S/c1-20-27(24,25)13-9-10-15(19)14(11-13)18(23)26-16(17(22)21(2)3)12-7-5-4-6-8-12/h4-11,16,20H,1-3H3/t16-/m1/s1
InChIKeyGZUYSZBRPVLYSL-MRXNPFEDSA-N
XLogP2.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8638579
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 51530614
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 46825923
[(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-oxo-1,2-diphenylethyl) 2-chloro-5-sulfamoylbenzoate
CID 42985828
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517612
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975012
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 46824288
2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975114

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate (CID 8600721) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The InChIKey is GZUYSZBRPVLYSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-20-27(24,25)13-9-10-15(19)14(11-13)18(23)26-16(17(22)21(2)3)12-7-5-4-6-8-12/h4-11,16,20H,1-3H3/t16-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate has a molecular weight of 410.88 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 8600721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).