N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide

C13H12N2O4S — CID 139074353

IUPACN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C13H12N2O4S/c16-11-6-7-13(17)10(8-11)9-14-15-20(18,19)12-4-2-1-3-5-12/h1-9,15-17H/b14-9+
InChIKeyYWUOTASXXJQFGL-NTEUORMPSA-N
MW292.32 g/mol
LogP1.41
Rot. Bonds4

About N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 139074353) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID139074353
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C13H12N2O4S/c16-11-6-7-13(17)10(8-11)9-14-15-20(18,19)12-4-2-1-3-5-12/h1-9,15-17H/b14-9+
InChIKeyYWUOTASXXJQFGL-NTEUORMPSA-N
XLogP1.41
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 135519253
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
2-[(E)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
CID 6908575
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide (CID 139074353) is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is YWUOTASXXJQFGL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-11-6-7-13(17)10(8-11)9-14-15-20(18,19)12-4-2-1-3-5-12/h1-9,15-17H/b14-9+.
What are the key properties of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 139074353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).