4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

C17H15N3O6S — CID 54729974

IUPAC4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1O
InChIInChI=1S/C17H15N3O6S/c1-26-13-7-6-10(8-12(13)21)9-18-19-17(23)15-16(22)11-4-2-3-5-14(11)27(24,25)20-15/h2-9,20-22H,1H3,(H,19,23)/b18-9+
InChIKeySVAUMCOPAJLJMO-GIJQJNRQSA-N
MW389.39 g/mol
LogP1.07
Rot. Bonds4

About 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54729974) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54729974
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC Name4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1O
InChIInChI=1S/C17H15N3O6S/c1-26-13-7-6-10(8-12(13)21)9-18-19-17(23)15-16(22)11-4-2-3-5-14(11)27(24,25)20-15/h2-9,20-22H,1H3,(H,19,23)/b18-9+
InChIKeySVAUMCOPAJLJMO-GIJQJNRQSA-N
XLogP1.07
TPSA137.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (CID 54729974) is 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is COc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1O.
What is the InChIKey of 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is SVAUMCOPAJLJMO-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-26-13-7-6-10(8-12(13)21)9-18-19-17(23)15-16(22)11-4-2-3-5-14(11)27(24,25)20-15/h2-9,20-22H,1H3,(H,19,23)/b18-9+.
What are the key properties of 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54729974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).