2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide

C18H16N4O6S — CID 18224948

IUPAC2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccco2)cc1
InChIInChI=1S/C18H16N4O6S/c1-27-15-7-4-13(5-8-15)21-29(25,26)18-11-14(22(23)24)6-9-17(18)20-19-12-16-3-2-10-28-16/h2-12,20-21H,1H3/b19-12+
InChIKeyQENRBAARKFHVPK-XDHOZWIPSA-N
MW416.42 g/mol
LogP3.44
Rot. Bonds8

About 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide

2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide (PubChem CID 18224948) has the molecular formula C18H16N4O6S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
PubChem CID18224948
Molecular FormulaC18H16N4O6S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC Name2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccco2)cc1
InChIInChI=1S/C18H16N4O6S/c1-27-15-7-4-13(5-8-15)21-29(25,26)18-11-14(22(23)24)6-9-17(18)20-19-12-16-3-2-10-28-16/h2-12,20-21H,1H3/b19-12+
InChIKeyQENRBAARKFHVPK-XDHOZWIPSA-N
XLogP3.44
TPSA136.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3400997
N-(4-methoxyphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 18283507
N-(4-methoxyphenyl)-2-[2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3492789
N-(4-methoxyphenyl)-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 42991074
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
N-(4-methoxyphenyl)-5-nitro-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6304428
2-[2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3394807
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 135684837
methyl 4-[[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]benzoate
CID 5222372
2-[2-[(Z)-[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6283371
2-(2-cycloheptylidenehydrazinyl)-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3616711
2-[(2Z)-2-[(5-bromo-1H-indol-3-yl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 136772603

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide (CID 18224948) is 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccco2)cc1.
What is the InChIKey of 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
The InChIKey is QENRBAARKFHVPK-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N4O6S/c1-27-15-7-4-13(5-8-15)21-29(25,26)18-11-14(22(23)24)6-9-17(18)20-19-12-16-3-2-10-28-16/h2-12,20-21H,1H3/b19-12+.
What are the key properties of 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide?
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide has a molecular weight of 416.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 18224948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).