N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

C15H16N2O4S — CID 2551534

IUPACN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1cccc(C=NNS(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C15H16N2O4S/c1-2-21-14-10-6-7-12(15(14)18)11-16-17-22(19,20)13-8-4-3-5-9-13/h3-11,17-18H,2H2,1H3
InChIKeyBJIKHHIZKRKOPT-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.10
Rot. Bonds6

About N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2551534) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID2551534
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1cccc(C=NNS(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C15H16N2O4S/c1-2-21-14-10-6-7-12(15(14)18)11-16-17-22(19,20)13-8-4-3-5-9-13/h3-11,17-18H,2H2,1H3
InChIKeyBJIKHHIZKRKOPT-UHFFFAOYSA-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_A(479)', '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-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 135647683
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480
4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 2551534) is N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is CCOc1cccc(C=NNS(=O)(=O)c2ccccc2)c1O.
What is the InChIKey of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is BJIKHHIZKRKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-21-14-10-6-7-12(15(14)18)11-16-17-22(19,20)13-8-4-3-5-9-13/h3-11,17-18H,2H2,1H3.
What are the key properties of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
N-[(3-ethoxy-2-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-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2551534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).