6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide

C22H23ClN4O6S — CID 155242672

IUPAC6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3N3CCC4(CCOCC4)C3)cc2o1
InChIInChI=1S/C22H23ClN4O6S/c23-15-10-17(20(24-12-15)27-6-3-22(13-27)4-7-32-8-5-22)26-34(30,31)16-2-1-14-9-19(21(28)25-29)33-18(14)11-16/h1-2,9-12,26,29H,3-8,13H2,(H,25,28)
InChIKeyUJHCETCJMJRHOU-UHFFFAOYSA-N
MW506.97 g/mol
LogP3.41
Rot. Bonds5

About 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide

6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 155242672) has the molecular formula C22H23ClN4O6S and a molecular weight of 506.97 g/mol. Its IUPAC name is 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
PubChem CID155242672
Molecular FormulaC22H23ClN4O6S
Molecular Weight506.97 g/mol
Exact Mass506.10
IUPAC Name6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3N3CCC4(CCOCC4)C3)cc2o1
InChIInChI=1S/C22H23ClN4O6S/c23-15-10-17(20(24-12-15)27-6-3-22(13-27)4-7-32-8-5-22)26-34(30,31)16-2-1-14-9-19(21(28)25-29)33-18(14)11-16/h1-2,9-12,26,29H,3-8,13H2,(H,25,28)
InChIKeyUJHCETCJMJRHOU-UHFFFAOYSA-N
XLogP3.41
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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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
6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233704
N-hydroxy-6-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxamide
CID 155233680
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
ethyl 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155242455
ethyl 6-[[2-(4-benzylpiperazin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155233690
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 67970255
5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
CID 114279161
5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 55651490
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 176791902

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (CID 155242672) is 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is O=C(NO)c1cc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3N3CCC4(CCOCC4)C3)cc2o1.
What is the InChIKey of 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is UJHCETCJMJRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O6S/c23-15-10-17(20(24-12-15)27-6-3-22(13-27)4-7-32-8-5-22)26-34(30,31)16-2-1-14-9-19(21(28)25-29)33-18(14)11-16/h1-2,9-12,26,29H,3-8,13H2,(H,25,28).
What are the key properties of 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 506.97 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155242672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).