N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide

C15H12F3NOS — CID 80710567

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2SC(F)F)c1F
InChIInChI=1S/C15H12F3NOS/c1-9-5-4-6-10(13(9)16)14(20)19-11-7-2-3-8-12(11)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyJGCYDXIEFWAIRU-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.70
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide (PubChem CID 80710567) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
PubChem CID80710567
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2SC(F)F)c1F
InChIInChI=1S/C15H12F3NOS/c1-9-5-4-6-10(13(9)16)14(20)19-11-7-2-3-8-12(11)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyJGCYDXIEFWAIRU-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide 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

N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide (CID 80710567) is N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2SC(F)F)c1F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide?
The InChIKey is JGCYDXIEFWAIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-9-5-4-6-10(13(9)16)14(20)19-11-7-2-3-8-12(11)21-15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide has a molecular weight of 311.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).