(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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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).