(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C11H13ClN2O5S — CID 2429069

IUPAC(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O5S/c1-14(6-11(16)19-7-10(13)15)20(17,18)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyBCEOOEHURIJVDL-UHFFFAOYSA-N
MW320.75 g/mol
LogP-0.01
Rot. Bonds6

About (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 2429069) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID2429069
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O5S/c1-14(6-11(16)19-7-10(13)15)20(17,18)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyBCEOOEHURIJVDL-UHFFFAOYSA-N
XLogP-0.01
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 5-0.01
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) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 2429069) is (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCC(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is BCEOOEHURIJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-14(6-11(16)19-7-10(13)15)20(17,18)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H2,13,15).
What are the key properties of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 320.75 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 2429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).