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

C19H18F2N4O5S — CID 155233704

IUPAC6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cccnc3N3CCC(F)(F)CC3)cc2o1
InChIInChI=1S/C19H18F2N4O5S/c20-19(21)5-8-25(9-6-19)17-14(2-1-7-22-17)24-31(28,29)13-4-3-12-10-16(18(26)23-27)30-15(12)11-13/h1-4,7,10-11,24,27H,5-6,8-9H2,(H,23,26)
InChIKeyBJBWJPWTPKWOPB-UHFFFAOYSA-N
MW452.44 g/mol
LogP2.98
Rot. Bonds5

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

6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 155233704) has the molecular formula C19H18F2N4O5S and a molecular weight of 452.44 g/mol. Its IUPAC name is 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
PubChem CID155233704
Molecular FormulaC19H18F2N4O5S
Molecular Weight452.44 g/mol
Exact Mass452.10
IUPAC Name6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cccnc3N3CCC(F)(F)CC3)cc2o1
InChIInChI=1S/C19H18F2N4O5S/c20-19(21)5-8-25(9-6-19)17-14(2-1-7-22-17)24-31(28,29)13-4-3-12-10-16(18(26)23-27)30-15(12)11-13/h1-4,7,10-11,24,27H,5-6,8-9H2,(H,23,26)
InChIKeyBJBWJPWTPKWOPB-UHFFFAOYSA-N
XLogP2.98
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 52.98
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'}

Analyze 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233706
ethyl 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155242455
N-hydroxy-6-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxamide
CID 155233680
6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155242672
ethyl 6-[[2-(4-benzylpiperazin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155233690
N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide
CID 155242385
6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155242387
3-[6-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]sulfamoyl]-1-benzofuran-2-yl]propanoic acid
CID 155233708
4-[(2-methylphenyl)sulfamoyl]-N-(2-piperidin-1-yl-3-pyridinyl)benzamide
CID 55981480
1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842371
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (CID 155233704) is 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is O=C(NO)c1cc2ccc(S(=O)(=O)Nc3cccnc3N3CCC(F)(F)CC3)cc2o1.
What is the InChIKey of 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is BJBWJPWTPKWOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O5S/c20-19(21)5-8-25(9-6-19)17-14(2-1-7-22-17)24-31(28,29)13-4-3-12-10-16(18(26)23-27)30-15(12)11-13/h1-4,7,10-11,24,27H,5-6,8-9H2,(H,23,26).
What are the key properties of 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 2.98, 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)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).