N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide

C20H19N3O5S — CID 2124044

IUPACN-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
SMILESC=C(NNC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H19N3O5S/c1-14(22-23-20(25)16-4-8-17(24)9-5-16)15-6-10-19(11-7-15)29(26,27)21-13-18-3-2-12-28-18/h2-12,21-22,24H,1,13H2,(H,23,25)
InChIKeyQAKRUMUWFGMWIN-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.37
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide (PubChem CID 2124044) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
PubChem CID2124044
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
SMILESC=C(NNC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H19N3O5S/c1-14(22-23-20(25)16-4-8-17(24)9-5-16)15-6-10-19(11-7-15)29(26,27)21-13-18-3-2-12-28-18/h2-12,21-22,24H,1,13H2,(H,23,25)
InChIKeyQAKRUMUWFGMWIN-UHFFFAOYSA-N
XLogP2.37
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4788612
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide (CID 2124044) is N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide is C=C(NNC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide?
The InChIKey is QAKRUMUWFGMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-14(22-23-20(25)16-4-8-17(24)9-5-16)15-6-10-19(11-7-15)29(26,27)21-13-18-3-2-12-28-18/h2-12,21-22,24H,1,13H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide has a molecular weight of 413.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 2124044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).