N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide

C11H14F2N2O4S — CID 138998465

IUPACN-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(CC(F)F)C2CC2)o1
InChIInChI=1S/C11H14F2N2O4S/c1-14-20(17,18)10-5-4-8(19-10)11(16)15(6-9(12)13)7-2-3-7/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyUPYJCDGMHKZPAX-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.06
Rot. Bonds6

About N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide

N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 138998465) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID138998465
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC NameN-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(CC(F)F)C2CC2)o1
InChIInChI=1S/C11H14F2N2O4S/c1-14-20(17,18)10-5-4-8(19-10)11(16)15(6-9(12)13)7-2-3-7/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyUPYJCDGMHKZPAX-UHFFFAOYSA-N
XLogP1.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide (CID 138998465) is N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)N(CC(F)F)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is UPYJCDGMHKZPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-14-20(17,18)10-5-4-8(19-10)11(16)15(6-9(12)13)7-2-3-7/h4-5,7,9,14H,2-3,6H2,1H3.
What are the key properties of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide?
N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 138998465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).