3-phenylsulfanylbenzamide

C13H11NOS — CID 23497817

IUPAC3-phenylsulfanylbenzamide
SMILESNC(=O)c1cccc(Sc2ccccc2)c1
InChIInChI=1S/C13H11NOS/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H2,14,15)
InChIKeyKLZFWPYDNDTTGA-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.94
Rot. Bonds3

About 3-phenylsulfanylbenzamide

3-phenylsulfanylbenzamide (PubChem CID 23497817) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-phenylsulfanylbenzamide.

Molecular Properties

Compound Name3-phenylsulfanylbenzamide
PubChem CID23497817
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name3-phenylsulfanylbenzamide
SMILESNC(=O)c1cccc(Sc2ccccc2)c1
InChIInChI=1S/C13H11NOS/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H2,14,15)
InChIKeyKLZFWPYDNDTTGA-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

Analyze 3-phenylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzamide, 2,2'-dithiobis-
CID 72552
(E)-3-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
CID 21099486
4-[(Trifluoromethyl)sulfanyl]benzamide
CID 2422516
N-(phenylsulfonyl)benzamide
CID 229604
Benzamide, N-[(phenylthio)methyl]-
CID 3631644
Farnesyl Thiosalicylic Acid Amide
CID 25187973
Benzamide, p-(isopropylsulfonyl)-
CID 210035
2-Sulfanylbenzamide
CID 350657
4-Mercapto-benzamide
CID 22351612
5-(3-Ethylsulfanylphenyl)thiophene-2-Carboxamide
CID 91754987
Benzamide, N-[2-(phenylthio)ethyl]-
CID 2282924
N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide
CID 2562584

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylbenzamide?
The IUPAC name of 3-phenylsulfanylbenzamide (CID 23497817) is 3-phenylsulfanylbenzamide.
What is the SMILES notation for 3-phenylsulfanylbenzamide?
The canonical SMILES for 3-phenylsulfanylbenzamide is NC(=O)c1cccc(Sc2ccccc2)c1.
What is the InChIKey of 3-phenylsulfanylbenzamide?
The InChIKey is KLZFWPYDNDTTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H2,14,15).
What are the key properties of 3-phenylsulfanylbenzamide?
3-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 3-phenylsulfanylbenzamide is sourced from PubChem (CID 23497817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).