4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide

C21H15F2NO5S — CID 4876013

IUPAC4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)oc1ccccc12
InChIInChI=1S/C21H15F2NO5S/c1-28-19-10-15-14-4-2-3-5-17(14)29-18(15)11-16(19)24-20(25)12-6-8-13(9-7-12)30(26,27)21(22)23/h2-11,21H,1H3,(H,24,25)
InChIKeyLHPICZOUEHJHRB-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.84
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide

4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide (PubChem CID 4876013) has the molecular formula C21H15F2NO5S and a molecular weight of 431.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
PubChem CID4876013
Molecular FormulaC21H15F2NO5S
Molecular Weight431.42 g/mol
Exact Mass431.06
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)oc1ccccc12
InChIInChI=1S/C21H15F2NO5S/c1-28-19-10-15-14-4-2-3-5-17(14)29-18(15)11-16(19)24-20(25)12-6-8-13(9-7-12)30(26,27)21(22)23/h2-11,21H,1H3,(H,24,25)
InChIKeyLHPICZOUEHJHRB-UHFFFAOYSA-N
XLogP4.84
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895
N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide
CID 37331079
N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3679313
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2385539
N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826201

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide (CID 4876013) is 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)oc1ccccc12.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide?
The InChIKey is LHPICZOUEHJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO5S/c1-28-19-10-15-14-4-2-3-5-17(14)29-18(15)11-16(19)24-20(25)12-6-8-13(9-7-12)30(26,27)21(22)23/h2-11,21H,1H3,(H,24,25).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide has a molecular weight of 431.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide is sourced from PubChem (CID 4876013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).