N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide

C16H11F2NO4S — CID 8916691

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc2ccccc2o1
InChIInChI=1S/C16H11F2NO4S/c17-16(18)24(21,22)14-8-4-2-6-11(14)19-15(20)13-9-10-5-1-3-7-12(10)23-13/h1-9,16H,(H,19,20)
InChIKeySEWKFCAXRRPUAC-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide

N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 8916691) has the molecular formula C16H11F2NO4S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID8916691
Molecular FormulaC16H11F2NO4S
Molecular Weight351.33 g/mol
Exact Mass351.04
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc2ccccc2o1
InChIInChI=1S/C16H11F2NO4S/c17-16(18)24(21,22)14-8-4-2-6-11(14)19-15(20)13-9-10-5-1-3-7-12(10)23-13/h1-9,16H,(H,19,20)
InChIKeySEWKFCAXRRPUAC-UHFFFAOYSA-N
XLogP3.68
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 26516067
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 17274047

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide (CID 8916691) is N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SEWKFCAXRRPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO4S/c17-16(18)24(21,22)14-8-4-2-6-11(14)19-15(20)13-9-10-5-1-3-7-12(10)23-13/h1-9,16H,(H,19,20).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8916691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).