4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid

C12H11FN2O5S — CID 66241279

IUPAC4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H11FN2O5S/c13-9-2-1-3-11(7(9)4-14)21(18,19)15-10-6-20-5-8(10)12(16)17/h1-3,8,10,15H,5-6H2,(H,16,17)
InChIKeyZVMRZNYEQDLBPC-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.08
Rot. Bonds4

About 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid

4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66241279) has the molecular formula C12H11FN2O5S and a molecular weight of 314.29 g/mol. Its IUPAC name is 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66241279
Molecular FormulaC12H11FN2O5S
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H11FN2O5S/c13-9-2-1-3-11(7(9)4-14)21(18,19)15-10-6-20-5-8(10)12(16)17/h1-3,8,10,15H,5-6H2,(H,16,17)
InChIKeyZVMRZNYEQDLBPC-UHFFFAOYSA-N
XLogP0.08
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 62480757
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CID 63287872
CID 63287872
CID 63287906
CID 63287906
CID 63287942
CID 63287942
CID 63288391
CID 63288391
CID 63289119
CID 63289119
CID 64130096
CID 64130096
CID 64130479
CID 64130479
CID 64130676
CID 64130676

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 66241279) is 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is N#Cc1c(F)cccc1S(=O)(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is ZVMRZNYEQDLBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5S/c13-9-2-1-3-11(7(9)4-14)21(18,19)15-10-6-20-5-8(10)12(16)17/h1-3,8,10,15H,5-6H2,(H,16,17).
What are the key properties of 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 314.29 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-3-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).