4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid

C12H11ClN2O5S — CID 66239487

IUPAC4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c13-8-2-1-7(4-14)11(3-8)21(18,19)15-10-6-20-5-9(10)12(16)17/h1-3,9-10,15H,5-6H2,(H,16,17)
InChIKeyOOABIVZGPLKWHD-UHFFFAOYSA-N
MW330.75 g/mol
LogP0.59
Rot. Bonds4

About 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid

4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66239487) has the molecular formula C12H11ClN2O5S and a molecular weight of 330.75 g/mol. Its IUPAC name is 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66239487
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.75 g/mol
Exact Mass330.01
IUPAC Name4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c13-8-2-1-7(4-14)11(3-8)21(18,19)15-10-6-20-5-9(10)12(16)17/h1-3,9-10,15H,5-6H2,(H,16,17)
InChIKeyOOABIVZGPLKWHD-UHFFFAOYSA-N
XLogP0.59
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 66239487) is 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid is N#Cc1ccc(Cl)cc1S(=O)(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is OOABIVZGPLKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S/c13-8-2-1-7(4-14)11(3-8)21(18,19)15-10-6-20-5-9(10)12(16)17/h1-3,9-10,15H,5-6H2,(H,16,17).
What are the key properties of 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 330.75 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).