N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide

C13H9F3N2OS — CID 17392220

IUPACN-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccccn1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)12(19)18-11-3-1-2-8-17-11/h1-8H,(H,17,18,19)
InChIKeyDTYWAYVRUHNYDG-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.95
Rot. Bonds3

About N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide

N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 17392220) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
PubChem CID17392220
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC NameN-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccccn1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)12(19)18-11-3-1-2-8-17-11/h1-8H,(H,17,18,19)
InChIKeyDTYWAYVRUHNYDG-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
CID 146637347
4-arsoroso-N-pyridin-2-ylbenzamide
CID 3027019
4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
1-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122315913
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide (CID 17392220) is N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1ccccn1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is DTYWAYVRUHNYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)12(19)18-11-3-1-2-8-17-11/h1-8H,(H,17,18,19).
What are the key properties of N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide?
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 298.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 17392220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).