3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide

C22H16FN3O5S — CID 16822812

IUPAC3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN3O5S/c23-14-7-11-16(12-8-14)32(29,30)26-15-9-5-13(6-10-15)22(28)25-19-17-3-1-2-4-18(17)31-20(19)21(24)27/h1-12,26H,(H2,24,27)(H,25,28)
InChIKeyHFCLILUCOXINLL-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.72
Rot. Bonds6

About 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide

3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16822812) has the molecular formula C22H16FN3O5S and a molecular weight of 453.45 g/mol. Its IUPAC name is 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16822812
Molecular FormulaC22H16FN3O5S
Molecular Weight453.45 g/mol
Exact Mass453.08
IUPAC Name3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN3O5S/c23-14-7-11-16(12-8-14)32(29,30)26-15-9-5-13(6-10-15)22(28)25-19-17-3-1-2-4-18(17)31-20(19)21(24)27/h1-12,26H,(H2,24,27)(H,25,28)
InChIKeyHFCLILUCOXINLL-UHFFFAOYSA-N
XLogP3.72
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 18575760
3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16813614
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
CID 18558792
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842704

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide (CID 16822812) is 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is HFCLILUCOXINLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O5S/c23-14-7-11-16(12-8-14)32(29,30)26-15-9-5-13(6-10-15)22(28)25-19-17-3-1-2-4-18(17)31-20(19)21(24)27/h1-12,26H,(H2,24,27)(H,25,28).
What are the key properties of 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).