2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide

C15H13F2NO2S — CID 17424318

IUPAC2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C15H13F2NO2S/c1-20-12-8-4-3-7-11(12)18-14(19)10-6-2-5-9-13(10)21-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyNNMAADQPXGTYAP-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.26
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide

2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 17424318) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
PubChem CID17424318
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C15H13F2NO2S/c1-20-12-8-4-3-7-11(12)18-14(19)10-6-2-5-9-13(10)21-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyNNMAADQPXGTYAP-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18196193
N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1317590
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
2-[2-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179402
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide (CID 17424318) is 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is NNMAADQPXGTYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-20-12-8-4-3-7-11(12)18-14(19)10-6-2-5-9-13(10)21-15(16)17/h2-9,15H,1H3,(H,18,19).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide?
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 309.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 17424318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).