6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide

C19H17F3N4O5S — CID 155233706

IUPAC6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cc(F)cnc3N3CCC(F)(F)CC3)cc2o1
InChIInChI=1S/C19H17F3N4O5S/c20-12-8-14(17(23-10-12)26-5-3-19(21,22)4-6-26)25-32(29,30)13-2-1-11-7-16(18(27)24-28)31-15(11)9-13/h1-2,7-10,25,28H,3-6H2,(H,24,27)
InChIKeyWCRYGJKTTRHYDG-UHFFFAOYSA-N
MW470.43 g/mol
LogP3.12
Rot. Bonds5

About 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide

6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 155233706) has the molecular formula C19H17F3N4O5S and a molecular weight of 470.43 g/mol. Its IUPAC name is 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
PubChem CID155233706
Molecular FormulaC19H17F3N4O5S
Molecular Weight470.43 g/mol
Exact Mass470.09
IUPAC Name6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cc(F)cnc3N3CCC(F)(F)CC3)cc2o1
InChIInChI=1S/C19H17F3N4O5S/c20-12-8-14(17(23-10-12)26-5-3-19(21,22)4-6-26)25-32(29,30)13-2-1-11-7-16(18(27)24-28)31-15(11)9-13/h1-2,7-10,25,28H,3-6H2,(H,24,27)
InChIKeyWCRYGJKTTRHYDG-UHFFFAOYSA-N
XLogP3.12
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (CID 155233706) is 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is O=C(NO)c1cc2ccc(S(=O)(=O)Nc3cc(F)cnc3N3CCC(F)(F)CC3)cc2o1.
What is the InChIKey of 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is WCRYGJKTTRHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O5S/c20-12-8-14(17(23-10-12)26-5-3-19(21,22)4-6-26)25-32(29,30)13-2-1-11-7-16(18(27)24-28)31-15(11)9-13/h1-2,7-10,25,28H,3-6H2,(H,24,27).
What are the key properties of 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 470.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).