N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide

C14H9F4NOS — CID 26180912

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9F4NOS/c15-9-5-8(6-10(16)7-9)13(20)19-11-3-1-2-4-12(11)21-14(17)18/h1-7,14H,(H,19,20)
InChIKeyZKJGFUDKOGOGAW-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.53
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide (PubChem CID 26180912) has the molecular formula C14H9F4NOS and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
PubChem CID26180912
Molecular FormulaC14H9F4NOS
Molecular Weight315.29 g/mol
Exact Mass315.03
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9F4NOS/c15-9-5-8(6-10(16)7-9)13(20)19-11-3-1-2-4-12(11)21-14(17)18/h1-7,14H,(H,19,20)
InChIKeyZKJGFUDKOGOGAW-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
CID 103956331
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
3,5-difluoro-N-(2-phenylphenyl)benzamide
CID 4794052
3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 126273948
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide (CID 26180912) is N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide is O=C(Nc1ccccc1SC(F)F)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide?
The InChIKey is ZKJGFUDKOGOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NOS/c15-9-5-8(6-10(16)7-9)13(20)19-11-3-1-2-4-12(11)21-14(17)18/h1-7,14H,(H,19,20).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide has a molecular weight of 315.29 g/mol, XLogP of 4.53, 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]-3,5-difluorobenzamide is sourced from PubChem (CID 26180912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).