(2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate

C13H15NO6S — CID 2998216

IUPAC(2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C13H15NO6S/c1-9-2-4-10(5-3-9)21(17,18)14-8-12(15)20-11-6-7-19-13(11)16/h2-5,11,14H,6-8H2,1H3
InChIKeyFXHQSACKEFQWDT-UHFFFAOYSA-N
MW313.33 g/mol
LogP0.13
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate

(2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2998216) has the molecular formula C13H15NO6S and a molecular weight of 313.33 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2998216
Molecular FormulaC13H15NO6S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name(2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C13H15NO6S/c1-9-2-4-10(5-3-9)21(17,18)14-8-12(15)20-11-6-7-19-13(11)16/h2-5,11,14H,6-8H2,1H3
InChIKeyFXHQSACKEFQWDT-UHFFFAOYSA-N
XLogP0.13
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2998216) is (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OC2CCOC2=O)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is FXHQSACKEFQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6S/c1-9-2-4-10(5-3-9)21(17,18)14-8-12(15)20-11-6-7-19-13(11)16/h2-5,11,14H,6-8H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
(2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 313.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2998216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).