N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide

C14H10F3NOS — CID 2308454

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccccc1F
InChIInChI=1S/C14H10F3NOS/c15-12-4-2-1-3-11(12)13(19)18-9-5-7-10(8-6-9)20-14(16)17/h1-8,14H,(H,18,19)
InChIKeyMZVZLPAVZDHXLP-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide (PubChem CID 2308454) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide
PubChem CID2308454
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccccc1F
InChIInChI=1S/C14H10F3NOS/c15-12-4-2-1-3-11(12)13(19)18-9-5-7-10(8-6-9)20-14(16)17/h1-8,14H,(H,18,19)
InChIKeyMZVZLPAVZDHXLP-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide (CID 2308454) is N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide?
The InChIKey is MZVZLPAVZDHXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-12-4-2-1-3-11(12)13(19)18-9-5-7-10(8-6-9)20-14(16)17/h1-8,14H,(H,18,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide has a molecular weight of 297.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 2308454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).