6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C23H19FN2O4S — CID 155234224

IUPAC6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1cc2oc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)cc2cc1F
InChIInChI=1S/C23H19FN2O4S/c1-26(2)19-14-20-16(12-18(19)24)13-21(30-20)23(27)25-31(28,29)22-11-7-6-10-17(22)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,25,27)
InChIKeyINGCGKQGPBHEES-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.42
Rot. Bonds5

About 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155234224) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155234224
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1cc2oc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)cc2cc1F
InChIInChI=1S/C23H19FN2O4S/c1-26(2)19-14-20-16(12-18(19)24)13-21(30-20)23(27)25-31(28,29)22-11-7-6-10-17(22)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,25,27)
InChIKeyINGCGKQGPBHEES-UHFFFAOYSA-N
XLogP4.42
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155234224) is 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is CN(C)c1cc2oc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)cc2cc1F.
What is the InChIKey of 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is INGCGKQGPBHEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-26(2)19-14-20-16(12-18(19)24)13-21(30-20)23(27)25-31(28,29)22-11-7-6-10-17(22)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,25,27).
What are the key properties of 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).