N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide

C21H16N2O3S — CID 143892288

IUPACN-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide
SMILESO=C(NO)c1ccc(/C2=N/c3ccccc3CS(=O)c3ccccc32)cc1
InChIInChI=1S/C21H16N2O3S/c24-21(23-25)15-11-9-14(10-12-15)20-17-6-2-4-8-19(17)27(26)13-16-5-1-3-7-18(16)22-20/h1-12,25H,13H2,(H,23,24)/b22-20-
InChIKeyLKXJINHYNDJGMH-XDOYNYLZSA-N
MW376.44 g/mol
LogP3.60
Rot. Bonds2

About N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide

N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide (PubChem CID 143892288) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide
PubChem CID143892288
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide
SMILESO=C(NO)c1ccc(/C2=N/c3ccccc3CS(=O)c3ccccc32)cc1
InChIInChI=1S/C21H16N2O3S/c24-21(23-25)15-11-9-14(10-12-15)20-17-6-2-4-8-19(17)27(26)13-16-5-1-3-7-18(16)22-20/h1-12,25H,13H2,(H,23,24)/b22-20-
InChIKeyLKXJINHYNDJGMH-XDOYNYLZSA-N
XLogP3.60
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 25189452
CID 25189452
CID 25190091
CID 25190091
CID 118650689
CID 118650689
CID 143892102
CID 143892102

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide?
The IUPAC name of N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide (CID 143892288) is N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide.
What is the SMILES notation for N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide?
The canonical SMILES for N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide is O=C(NO)c1ccc(/C2=N/c3ccccc3CS(=O)c3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide?
The InChIKey is LKXJINHYNDJGMH-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-21(23-25)15-11-9-14(10-12-15)20-17-6-2-4-8-19(17)27(26)13-16-5-1-3-7-18(16)22-20/h1-12,25H,13H2,(H,23,24)/b22-20-.
What are the key properties of N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide?
N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide is sourced from PubChem (CID 143892288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).