2-benzylsulfanylbenzamide

C14H13NOS — CID 2818214

IUPAC2-benzylsulfanylbenzamide
SMILESNC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C14H13NOS/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)
InChIKeyDFEKGWCBYMIJTA-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.08
Rot. Bonds4

About 2-benzylsulfanylbenzamide

2-benzylsulfanylbenzamide (PubChem CID 2818214) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-benzylsulfanylbenzamide.

Molecular Properties

Compound Name2-benzylsulfanylbenzamide
PubChem CID2818214
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-benzylsulfanylbenzamide
SMILESNC(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C14H13NOS/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)
InChIKeyDFEKGWCBYMIJTA-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylbenzamide?
The IUPAC name of 2-benzylsulfanylbenzamide (CID 2818214) is 2-benzylsulfanylbenzamide.
What is the SMILES notation for 2-benzylsulfanylbenzamide?
The canonical SMILES for 2-benzylsulfanylbenzamide is NC(=O)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylbenzamide?
The InChIKey is DFEKGWCBYMIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16).
What are the key properties of 2-benzylsulfanylbenzamide?
2-benzylsulfanylbenzamide has a molecular weight of 243.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylbenzamide is sourced from PubChem (CID 2818214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).