2-phenylsulfanylbenzamide

C13H11NOS — CID 2728632

IUPAC2-phenylsulfanylbenzamide
SMILESNC(=O)c1ccccc1Sc1ccccc1
InChIInChI=1S/C13H11NOS/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
InChIKeyCPTFVDLLWNPUGJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.94
Rot. Bonds3

About 2-phenylsulfanylbenzamide

2-phenylsulfanylbenzamide (PubChem CID 2728632) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-phenylsulfanylbenzamide.

Molecular Properties

Compound Name2-phenylsulfanylbenzamide
PubChem CID2728632
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-phenylsulfanylbenzamide
SMILESNC(=O)c1ccccc1Sc1ccccc1
InChIInChI=1S/C13H11NOS/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
InChIKeyCPTFVDLLWNPUGJ-UHFFFAOYSA-N
XLogP2.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylbenzamide?
The IUPAC name of 2-phenylsulfanylbenzamide (CID 2728632) is 2-phenylsulfanylbenzamide.
What is the SMILES notation for 2-phenylsulfanylbenzamide?
The canonical SMILES for 2-phenylsulfanylbenzamide is NC(=O)c1ccccc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylbenzamide?
The InChIKey is CPTFVDLLWNPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15).
What are the key properties of 2-phenylsulfanylbenzamide?
2-phenylsulfanylbenzamide has a molecular weight of 229.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylbenzamide is sourced from PubChem (CID 2728632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).