lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate

C9H8F2LiNO5S — CID 169084093

IUPAClithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(S(=O)(=O)NC2CC(F)(F)C2)o1.[Li+]
InChIInChI=1S/C9H9F2NO5S.Li/c10-9(11)3-5(4-9)12-18(15,16)7-2-1-6(17-7)8(13)14;/h1-2,5,12H,3-4H2,(H,13,14);/q;+1/p-1
InChIKeyQWVUPYYPEYFIFM-UHFFFAOYSA-M
MW287.17 g/mol
LogP-3.28
Rot. Bonds4

About lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate

lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate (PubChem CID 169084093) has the molecular formula C9H8F2LiNO5S and a molecular weight of 287.17 g/mol. Its IUPAC name is lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namelithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate
PubChem CID169084093
Molecular FormulaC9H8F2LiNO5S
Molecular Weight287.17 g/mol
Exact Mass287.03
IUPAC Namelithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(S(=O)(=O)NC2CC(F)(F)C2)o1.[Li+]
InChIInChI=1S/C9H9F2NO5S.Li/c10-9(11)3-5(4-9)12-18(15,16)7-2-1-6(17-7)8(13)14;/h1-2,5,12H,3-4H2,(H,13,14);/q;+1/p-1
InChIKeyQWVUPYYPEYFIFM-UHFFFAOYSA-M
XLogP-3.28
TPSA99.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 5-3.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate (CID 169084093) is lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate is O=C([O-])c1ccc(S(=O)(=O)NC2CC(F)(F)C2)o1.[Li+].
What is the InChIKey of lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate?
The InChIKey is QWVUPYYPEYFIFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9F2NO5S.Li/c10-9(11)3-5(4-9)12-18(15,16)7-2-1-6(17-7)8(13)14;/h1-2,5,12H,3-4H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate?
lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate has a molecular weight of 287.17 g/mol, XLogP of -3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[(3,3-difluorocyclobutyl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 169084093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).