N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide

C15H16N2O4S — CID 135738480

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H16N2O4S/c1-2-21-15-10-12(8-9-14(15)18)11-16-17-22(19,20)13-6-4-3-5-7-13/h3-11,17-18H,2H2,1H3/b16-11+
InChIKeyMAWCYLMXBXWWSZ-LFIBNONCSA-N
MW320.37 g/mol
LogP2.10
Rot. Bonds6

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 135738480) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID135738480
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H16N2O4S/c1-2-21-15-10-12(8-9-14(15)18)11-16-17-22(19,20)13-6-4-3-5-7-13/h3-11,17-18H,2H2,1H3/b16-11+
InChIKeyMAWCYLMXBXWWSZ-LFIBNONCSA-N
XLogP2.10
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 6872611
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 110509572
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate
CID 6114211
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
CID 135458846
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 135738480) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide is CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is MAWCYLMXBXWWSZ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-21-15-10-12(8-9-14(15)18)11-16-17-22(19,20)13-6-4-3-5-7-13/h3-11,17-18H,2H2,1H3/b16-11+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135738480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).