5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid

C19H23N3O7S — CID 44507513

IUPAC5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
SMILESO=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C19H23N3O7S/c23-16-8-6-5-7-15(16)21-17(24)9-3-1-2-4-10-18(25)22-20-13-14-11-12-19(29-14)30(26,27)28/h5-8,11-13,23H,1-4,9-10H2,(H,21,24)(H,22,25)(H,26,27,28)/b20-13+
InChIKeyPOCVLIPCMICUCW-DEDYPNTBSA-N
MW437.47 g/mol
LogP2.66
Rot. Bonds11

About 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid

5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid (PubChem CID 44507513) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid.

Molecular Properties

Compound Name5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
PubChem CID44507513
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC Name5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
SMILESO=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C19H23N3O7S/c23-16-8-6-5-7-15(16)21-17(24)9-3-1-2-4-10-18(25)22-20-13-14-11-12-19(29-14)30(26,27)28/h5-8,11-13,23H,1-4,9-10H2,(H,21,24)(H,22,25)(H,26,27,28)/b20-13+
InChIKeyPOCVLIPCMICUCW-DEDYPNTBSA-N
XLogP2.66
TPSA158.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N-(2-hydroxyphenyl)-N'-[(E)-pent-4-enylideneamino]octanediamide
CID 44507497
N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506469
N,N'-bis[(5-bromofuran-2-yl)methylideneamino]octanediamide
CID 3286052
N-(2-hydroxyphenyl)-N'-[(E)-1H-indol-2-ylmethylideneamino]heptanediamide
CID 135875953
5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 4220503
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 74084471
6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
CID 135365962
N-[(5-methylfuran-2-yl)methylideneamino]decanamide
CID 4150457

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
The IUPAC name of 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid (CID 44507513) is 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid.
What is the SMILES notation for 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
The canonical SMILES for 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid is O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(S(=O)(=O)O)o1.
What is the InChIKey of 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
The InChIKey is POCVLIPCMICUCW-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N3O7S/c23-16-8-6-5-7-15(16)21-17(24)9-3-1-2-4-10-18(25)22-20-13-14-11-12-19(29-14)30(26,27)28/h5-8,11-13,23H,1-4,9-10H2,(H,21,24)(H,22,25)(H,26,27,28)/b20-13+.
What are the key properties of 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid has a molecular weight of 437.47 g/mol, XLogP of 2.66, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[[8-(2-hydroxyanilino)-8-oxooctanoyl]hydrazinylidene]methyl]furan-2-sulfonic acid is sourced from PubChem (CID 44507513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).