N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide

C15H10F4N2O2S — CID 1494031

IUPACN-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H10F4N2O2S/c16-8-4-3-5-9(17)12(8)13(22)21-15(23)20-10-6-1-2-7-11(10)24-14(18)19/h1-7,14H,(H2,20,21,22,23)
InChIKeyAVLXVELKLRFYSQ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.24
Rot. Bonds4

About N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 1494031) has the molecular formula C15H10F4N2O2S and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID1494031
Molecular FormulaC15H10F4N2O2S
Molecular Weight358.32 g/mol
Exact Mass358.04
IUPAC NameN-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H10F4N2O2S/c16-8-4-3-5-9(17)12(8)13(22)21-15(23)20-10-6-1-2-7-11(10)24-14(18)19/h1-7,14H,(H2,20,21,22,23)
InChIKeyAVLXVELKLRFYSQ-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[4-(Methylthio)anilino]-oxomethyl]amino]benzamide
CID 307712
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
N-[4-(difluoromethylsulfanyl)phenyl]-4-fluorobenzamide
CID 1548689
Penfluron
CID 107651
4-fluoro-N-(2-phenylsulfanylphenyl)benzamide
CID 847806
N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide
CID 2308454
2,6-Difluoro-N-{[3-(trifluoromethyl)phenyl]carbamoyl}benzamide
CID 326536
2-fluoro-N-[2-(phenylthio)phenyl]benzamide
CID 695535
3,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 24494928
N-[1,1,1,3,3,3-hexafluoro-2-(phenylamino)propan-2-yl]benzamide
CID 570192
2,6-difluoro-N-[2-(methylsulfanyl)phenyl]benzamide
CID 874646
2,6-difluoro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 2726486

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 1494031) is N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is AVLXVELKLRFYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2S/c16-8-4-3-5-9(17)12(8)13(22)21-15(23)20-10-6-1-2-7-11(10)24-14(18)19/h1-7,14H,(H2,20,21,22,23).
What are the key properties of N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 358.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 1494031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).