2-(4-sulfanylphenyl)benzamide

C13H11NOS — CID 123865204

IUPAC2-(4-sulfanylphenyl)benzamide
SMILESNC(=O)c1ccccc1-c1ccc(S)cc1
InChIInChI=1S/C13H11NOS/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h1-8,16H,(H2,14,15)
InChIKeyXTDYCTUZJWDUFW-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.74
Rot. Bonds2

About 2-(4-sulfanylphenyl)benzamide

2-(4-sulfanylphenyl)benzamide (PubChem CID 123865204) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(4-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-(4-sulfanylphenyl)benzamide
PubChem CID123865204
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-(4-sulfanylphenyl)benzamide
SMILESNC(=O)c1ccccc1-c1ccc(S)cc1
InChIInChI=1S/C13H11NOS/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h1-8,16H,(H2,14,15)
InChIKeyXTDYCTUZJWDUFW-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)benzamide
CID 15982087
2-(4-anilinophenyl)benzamide
CID 174939572
benzoic acid;2-phenylbenzamide
CID 70205361
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide
CID 174694661
propan-2-yl 4-(2-carbamoylphenyl)benzoate
CID 70179260
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
2-(2-hydrazinylpyrimidin-5-yl)benzamide
CID 141306318

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfanylphenyl)benzamide?
The IUPAC name of 2-(4-sulfanylphenyl)benzamide (CID 123865204) is 2-(4-sulfanylphenyl)benzamide.
What is the SMILES notation for 2-(4-sulfanylphenyl)benzamide?
The canonical SMILES for 2-(4-sulfanylphenyl)benzamide is NC(=O)c1ccccc1-c1ccc(S)cc1.
What is the InChIKey of 2-(4-sulfanylphenyl)benzamide?
The InChIKey is XTDYCTUZJWDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h1-8,16H,(H2,14,15).
What are the key properties of 2-(4-sulfanylphenyl)benzamide?
2-(4-sulfanylphenyl)benzamide has a molecular weight of 229.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfanylphenyl)benzamide is sourced from PubChem (CID 123865204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).