N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide

C19H20N4O6S — CID 155242385

IUPACN-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cccnc3OC3CCNCC3)cc2o1
InChIInChI=1S/C19H20N4O6S/c24-18(22-25)17-10-12-3-4-14(11-16(12)29-17)30(26,27)23-15-2-1-7-21-19(15)28-13-5-8-20-9-6-13/h1-4,7,10-11,13,20,23,25H,5-6,8-9H2,(H,22,24)
InChIKeyORGPAKHPHWFJAK-UHFFFAOYSA-N
MW432.46 g/mol
LogP1.88
Rot. Bonds6

About N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide

N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide (PubChem CID 155242385) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide
PubChem CID155242385
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC NameN-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide
SMILESO=C(NO)c1cc2ccc(S(=O)(=O)Nc3cccnc3OC3CCNCC3)cc2o1
InChIInChI=1S/C19H20N4O6S/c24-18(22-25)17-10-12-3-4-14(11-16(12)29-17)30(26,27)23-15-2-1-7-21-19(15)28-13-5-8-20-9-6-13/h1-4,7,10-11,13,20,23,25H,5-6,8-9H2,(H,22,24)
InChIKeyORGPAKHPHWFJAK-UHFFFAOYSA-N
XLogP1.88
TPSA142.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 51.88
H-Bond Donors ≤ 54
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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Related Compounds

N-hydroxy-6-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxamide
CID 155233680
6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233704
3-[6-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]sulfamoyl]-1-benzofuran-2-yl]propanoic acid
CID 155233708
6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233706
6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155242387
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
ethyl 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155242455
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-5-piperidin-4-yloxy-1-benzofuran-2-carboxamide
CID 87642245
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 47038316

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide (CID 155242385) is N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide is O=C(NO)c1cc2ccc(S(=O)(=O)Nc3cccnc3OC3CCNCC3)cc2o1.
What is the InChIKey of N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide?
The InChIKey is ORGPAKHPHWFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S/c24-18(22-25)17-10-12-3-4-14(11-16(12)29-17)30(26,27)23-15-2-1-7-21-19(15)28-13-5-8-20-9-6-13/h1-4,7,10-11,13,20,23,25H,5-6,8-9H2,(H,22,24).
What are the key properties of N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide?
N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155242385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).