N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide

C15H12N2O3S — CID 58011595

IUPACN-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2sc3ccccc3c2=O)cc1
InChIInChI=1S/C15H12N2O3S/c18-14(16-20)11-7-5-10(6-8-11)9-17-15(19)12-3-1-2-4-13(12)21-17/h1-8,20H,9H2,(H,16,18)
InChIKeyZBKIYZUDBOQUME-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.23
Rot. Bonds3

About N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide

N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide (PubChem CID 58011595) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide
PubChem CID58011595
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2sc3ccccc3c2=O)cc1
InChIInChI=1S/C15H12N2O3S/c18-14(16-20)11-7-5-10(6-8-11)9-17-15(19)12-3-1-2-4-13(12)21-17/h1-8,20H,9H2,(H,16,18)
InChIKeyZBKIYZUDBOQUME-UHFFFAOYSA-N
XLogP2.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.23
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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Related Compounds

2-Butyl-2,3-dihydrobenzisothiazol-3-one
CID 9837171
N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One
CID 457527
N-Benzylsaccharin
CID 95841
2-propyl-1,2-benzisothiazol-3(2H)-one
CID 640879
1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-
CID 9834674
1,2-Benzisothiazol-3(2H)-one, 2-(2-propenyl)-
CID 12223544
2-(2-Methylpropyl) benzisothiazolin-3-one
CID 21099553
acs.jmedchem.1c00409_ST.177
CID 134135259
2-[(2-Methylphenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
CID 4801151
1,2-Benzisothiazol-3(2h)-one, 2-ethyl-, 1,1-dioxide
CID 236541
1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide
CID 607305
1,2-Benzisothiazole-2-acetamide, 6-fluoro-2,3-dihydro-3-oxo-N-(phenylmethyl)-
CID 5301519

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide (CID 58011595) is N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2sc3ccccc3c2=O)cc1.
What is the InChIKey of N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide?
The InChIKey is ZBKIYZUDBOQUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14(16-20)11-7-5-10(6-8-11)9-17-15(19)12-3-1-2-4-13(12)21-17/h1-8,20H,9H2,(H,16,18).
What are the key properties of N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide?
N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide has a molecular weight of 300.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 58011595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).