4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide

C18H13ClN4O2S — CID 155561163

IUPAC4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3cc(Cl)nnc32)cc1
InChIInChI=1S/C18H13ClN4O2S/c19-16-9-15-17(21-20-16)23(13-3-1-2-4-14(13)26-15)10-11-5-7-12(8-6-11)18(24)22-25/h1-9,25H,10H2,(H,22,24)
InChIKeyLCUKJODJUGZGEJ-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.05
Rot. Bonds3

About 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide

4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide (PubChem CID 155561163) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide
PubChem CID155561163
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3cc(Cl)nnc32)cc1
InChIInChI=1S/C18H13ClN4O2S/c19-16-9-15-17(21-20-16)23(13-3-1-2-4-14(13)26-15)10-11-5-7-12(8-6-11)18(24)22-25/h1-9,25H,10H2,(H,22,24)
InChIKeyLCUKJODJUGZGEJ-UHFFFAOYSA-N
XLogP4.05
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide (CID 155561163) is 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2c3ccccc3Sc3cc(Cl)nnc32)cc1.
What is the InChIKey of 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide?
The InChIKey is LCUKJODJUGZGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-16-9-15-17(21-20-16)23(13-3-1-2-4-14(13)26-15)10-11-5-7-12(8-6-11)18(24)22-25/h1-9,25H,10H2,(H,22,24).
What are the key properties of 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide?
4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide has a molecular weight of 384.85 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155561163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).