N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide

C11H12F2N2O4S — CID 115408915

IUPACN-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)F)CO2
InChIInChI=1S/C11H12F2N2O4S/c12-10(13)4-15-11(16)8-5-19-9-2-1-6(3-7(8)9)20(14,17)18/h1-3,8,10H,4-5H2,(H,15,16)(H2,14,17,18)
InChIKeyXTJXYITXXQNAPM-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.19
Rot. Bonds4

About N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide

N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 115408915) has the molecular formula C11H12F2N2O4S and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID115408915
Molecular FormulaC11H12F2N2O4S
Molecular Weight306.29 g/mol
Exact Mass306.05
IUPAC NameN-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)F)CO2
InChIInChI=1S/C11H12F2N2O4S/c12-10(13)4-15-11(16)8-5-19-9-2-1-6(3-7(8)9)20(14,17)18/h1-3,8,10H,4-5H2,(H,15,16)(H2,14,17,18)
InChIKeyXTJXYITXXQNAPM-UHFFFAOYSA-N
XLogP0.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 115408915) is N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is NS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)F)CO2.
What is the InChIKey of N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is XTJXYITXXQNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4S/c12-10(13)4-15-11(16)8-5-19-9-2-1-6(3-7(8)9)20(14,17)18/h1-3,8,10H,4-5H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 115408915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).