N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide

C14H14N2O4S — CID 137100868

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-12-6-8-13(9-7-12)21(18,19)16-15-10-11-4-2-3-5-14(11)17/h2-10,16-17H,1H3/b15-10+
InChIKeyMEZFXCYAIRSDJJ-XNTDXEJSSA-N
MW306.34 g/mol
LogP1.71
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 137100868) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
PubChem CID137100868
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-12-6-8-13(9-7-12)21(18,19)16-15-10-11-4-2-3-5-14(11)17/h2-10,16-17H,1H3/b15-10+
InChIKeyMEZFXCYAIRSDJJ-XNTDXEJSSA-N
XLogP1.71
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide (CID 137100868) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is MEZFXCYAIRSDJJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-12-6-8-13(9-7-12)21(18,19)16-15-10-11-4-2-3-5-14(11)17/h2-10,16-17H,1H3/b15-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 137100868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).