zinc N-(2-sulfanylphenyl)benzamide

C13H11NOSZn+2 — CID 22756062

IUPACzinc N-(2-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1S)c1ccccc1.[Zn+2]
InChIInChI=1S/C13H11NOS.Zn/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16;/h1-9,16H,(H,14,15);/q;+2
InChIKeyAMSXHWDCSRTBKB-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.23
Rot. Bonds2

About zinc N-(2-sulfanylphenyl)benzamide

zinc N-(2-sulfanylphenyl)benzamide (PubChem CID 22756062) has the molecular formula C13H11NOSZn+2 and a molecular weight of 294.69 g/mol. Its IUPAC name is zinc N-(2-sulfanylphenyl)benzamide.

Molecular Properties

Compound Namezinc N-(2-sulfanylphenyl)benzamide
PubChem CID22756062
Molecular FormulaC13H11NOSZn+2
Molecular Weight294.69 g/mol
Exact Mass292.98
IUPAC Namezinc N-(2-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1S)c1ccccc1.[Zn+2]
InChIInChI=1S/C13H11NOS.Zn/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16;/h1-9,16H,(H,14,15);/q;+2
InChIKeyAMSXHWDCSRTBKB-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-sulfanylphenyl)naphthalene-2-carboxamide
CID 23961098
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-[2-(sulfanylmethyl)phenyl]benzamide
CID 173232561
zinc bis(2-benzamidobenzoate)
CID 67586546
N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
2-benzamidobenzamide
CID 702115
2-oxo-N-(2-sulfanylphenyl)acetamide
CID 173253850
N-(2,3-difluorophenyl)benzamide
CID 139202270
N-(2-benzamido-1H-pyrrol-3-yl)benzamide
CID 68860160
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766

Frequently Asked Questions

What is the IUPAC name of zinc N-(2-sulfanylphenyl)benzamide?
The IUPAC name of zinc N-(2-sulfanylphenyl)benzamide (CID 22756062) is zinc N-(2-sulfanylphenyl)benzamide.
What is the SMILES notation for zinc N-(2-sulfanylphenyl)benzamide?
The canonical SMILES for zinc N-(2-sulfanylphenyl)benzamide is O=C(Nc1ccccc1S)c1ccccc1.[Zn+2].
What is the InChIKey of zinc N-(2-sulfanylphenyl)benzamide?
The InChIKey is AMSXHWDCSRTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS.Zn/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16;/h1-9,16H,(H,14,15);/q;+2.
What are the key properties of zinc N-(2-sulfanylphenyl)benzamide?
zinc N-(2-sulfanylphenyl)benzamide has a molecular weight of 294.69 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N-(2-sulfanylphenyl)benzamide is sourced from PubChem (CID 22756062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).