(2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate

C17H17ClN2O5S — CID 2417975

IUPAC(2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(N)=O)c1
InChIInChI=1S/C17H17ClN2O5S/c1-20(10-12-5-3-2-4-6-12)26(23,24)13-7-8-15(18)14(9-13)17(22)25-11-16(19)21/h2-9H,10-11H2,1H3,(H2,19,21)
InChIKeyYZGOGDRSMGTRBK-UHFFFAOYSA-N
MW396.85 g/mol
LogP1.80
Rot. Bonds7

About (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate

(2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate (PubChem CID 2417975) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
PubChem CID2417975
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name(2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(N)=O)c1
InChIInChI=1S/C17H17ClN2O5S/c1-20(10-12-5-3-2-4-6-12)26(23,24)13-7-8-15(18)14(9-13)17(22)25-11-16(19)21/h2-9H,10-11H2,1H3,(H2,19,21)
InChIKeyYZGOGDRSMGTRBK-UHFFFAOYSA-N
XLogP1.80
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 2097465
2-[[3-(Dimethylsulfamoyl)benzoyl]amino]ethyl 2-chloro-4,5-difluorobenzoate
CID 2373187
(2-Amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
CID 2376707
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2433615
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2449368
[2-(Benzylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2465012
[2-(Benzylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2550536
[2-(Cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599570
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-(diethylsulfamoyl)benzoate
CID 4692144
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 4693625
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 7044391
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16537926

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate (CID 2417975) is (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(N)=O)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate?
The InChIKey is YZGOGDRSMGTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-20(10-12-5-3-2-4-6-12)26(23,24)13-7-8-15(18)14(9-13)17(22)25-11-16(19)21/h2-9H,10-11H2,1H3,(H2,19,21).
What are the key properties of (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate?
(2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate has a molecular weight of 396.85 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate is sourced from PubChem (CID 2417975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).