3-formamido-5-(trifluoromethylsulfanyl)benzamide

C9H7F3N2O2S — CID 168652519

IUPAC3-formamido-5-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)c1cc(NC=O)cc(SC(F)(F)F)c1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)17-7-2-5(8(13)16)1-6(3-7)14-4-15/h1-4H,(H2,13,16)(H,14,15)
InChIKeyOBHXUYIIGZEVIV-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.97
Rot. Bonds4

About 3-formamido-5-(trifluoromethylsulfanyl)benzamide

3-formamido-5-(trifluoromethylsulfanyl)benzamide (PubChem CID 168652519) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-formamido-5-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound Name3-formamido-5-(trifluoromethylsulfanyl)benzamide
PubChem CID168652519
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3-formamido-5-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)c1cc(NC=O)cc(SC(F)(F)F)c1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)17-7-2-5(8(13)16)1-6(3-7)14-4-15/h1-4H,(H2,13,16)(H,14,15)
InChIKeyOBHXUYIIGZEVIV-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-formamido-5-(trifluoromethylsulfanyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-formamido-5-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of 3-formamido-5-(trifluoromethylsulfanyl)benzamide (CID 168652519) is 3-formamido-5-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for 3-formamido-5-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for 3-formamido-5-(trifluoromethylsulfanyl)benzamide is NC(=O)c1cc(NC=O)cc(SC(F)(F)F)c1.
What is the InChIKey of 3-formamido-5-(trifluoromethylsulfanyl)benzamide?
The InChIKey is OBHXUYIIGZEVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c10-9(11,12)17-7-2-5(8(13)16)1-6(3-7)14-4-15/h1-4H,(H2,13,16)(H,14,15).
What are the key properties of 3-formamido-5-(trifluoromethylsulfanyl)benzamide?
3-formamido-5-(trifluoromethylsulfanyl)benzamide has a molecular weight of 264.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-5-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 168652519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).