6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C24H18F2N2O4S — CID 166596405

IUPAC6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2ccc(N3CC(F)(F)C3)cc2o1
InChIInChI=1S/C24H18F2N2O4S/c25-24(26)14-28(15-24)18-11-10-17-12-21(32-20(17)13-18)23(29)27-33(30,31)22-9-5-4-8-19(22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,29)
InChIKeyNOYYMOATXJOHSG-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.67
Rot. Bonds5

About 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 166596405) has the molecular formula C24H18F2N2O4S and a molecular weight of 468.48 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID166596405
Molecular FormulaC24H18F2N2O4S
Molecular Weight468.48 g/mol
Exact Mass468.10
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2ccc(N3CC(F)(F)C3)cc2o1
InChIInChI=1S/C24H18F2N2O4S/c25-24(26)14-28(15-24)18-11-10-17-12-21(32-20(17)13-18)23(29)27-33(30,31)22-9-5-4-8-19(22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,29)
InChIKeyNOYYMOATXJOHSG-UHFFFAOYSA-N
XLogP4.67
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 166596405) is 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2ccc(N3CC(F)(F)C3)cc2o1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is NOYYMOATXJOHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4S/c25-24(26)14-28(15-24)18-11-10-17-12-21(32-20(17)13-18)23(29)27-33(30,31)22-9-5-4-8-19(22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,29).
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166596405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).