(2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C13H14ClNO6S — CID 3443483

IUPAC(2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OC1CCOC1=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO6S/c1-15(8-12(16)21-11-6-7-20-13(11)17)22(18,19)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3
InChIKeyHQZHBZRQJSVJRK-UHFFFAOYSA-N
MW347.78 g/mol
LogP0.82
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

(2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 3443483) has the molecular formula C13H14ClNO6S and a molecular weight of 347.78 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID3443483
Molecular FormulaC13H14ClNO6S
Molecular Weight347.78 g/mol
Exact Mass347.02
IUPAC Name(2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OC1CCOC1=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO6S/c1-15(8-12(16)21-11-6-7-20-13(11)17)22(18,19)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3
InChIKeyHQZHBZRQJSVJRK-UHFFFAOYSA-N
XLogP0.82
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 3443483) is (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OC1CCOC1=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is HQZHBZRQJSVJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO6S/c1-15(8-12(16)21-11-6-7-20-13(11)17)22(18,19)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
(2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 347.78 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 3443483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).