(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate

C15H13NO6S2 — CID 3519185

IUPAC(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OC1CCOC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H13NO6S2/c17-14(22-12-7-8-21-15(12)18)10-3-5-11(6-4-10)16-24(19,20)13-2-1-9-23-13/h1-6,9,12,16H,7-8H2
InChIKeyGBQLSBAZEMYALU-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.02
Rot. Bonds5

About (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate

(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 3519185) has the molecular formula C15H13NO6S2 and a molecular weight of 367.40 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID3519185
Molecular FormulaC15H13NO6S2
Molecular Weight367.40 g/mol
Exact Mass367.02
IUPAC Name(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OC1CCOC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H13NO6S2/c17-14(22-12-7-8-21-15(12)18)10-3-5-11(6-4-10)16-24(19,20)13-2-1-9-23-13/h1-6,9,12,16H,7-8H2
InChIKeyGBQLSBAZEMYALU-UHFFFAOYSA-N
XLogP2.02
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate (CID 3519185) is (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate is O=C(OC1CCOC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is GBQLSBAZEMYALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6S2/c17-14(22-12-7-8-21-15(12)18)10-3-5-11(6-4-10)16-24(19,20)13-2-1-9-23-13/h1-6,9,12,16H,7-8H2.
What are the key properties of (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 367.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 3519185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).