4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide

C20H16N2O4S — CID 155517723

IUPAC4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O4S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)27(25,26)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
InChIKeyFERIXKUWSGZYOJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.29
Rot. Bonds3

About 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide

4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide (PubChem CID 155517723) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide
PubChem CID155517723
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O4S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)27(25,26)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
InChIKeyFERIXKUWSGZYOJ-UHFFFAOYSA-N
XLogP3.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide (CID 155517723) is 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
The InChIKey is FERIXKUWSGZYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)27(25,26)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23).
What are the key properties of 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide?
4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide has a molecular weight of 380.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dioxophenothiazin-10-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155517723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).