N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide

C10H7F3N4OS — CID 60810768

IUPACN-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)19-7-4-2-1-3-6(7)8(18)16-9-14-5-15-17-9/h1-5H,(H2,14,15,16,17,18)
InChIKeyUSEYXASKLJFDCY-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.67
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide

N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 60810768) has the molecular formula C10H7F3N4OS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID60810768
Molecular FormulaC10H7F3N4OS
Molecular Weight288.25 g/mol
Exact Mass288.03
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)19-7-4-2-1-3-6(7)8(18)16-9-14-5-15-17-9/h1-5H,(H2,14,15,16,17,18)
InChIKeyUSEYXASKLJFDCY-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)benzamide
CID 64512037
2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2977312
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
N-(2,5-dichlorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604341
2-fluoro-N-[2-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 107363029
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 47026174
N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55608407
N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55800264

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide (CID 60810768) is N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide is O=C(Nc1ncn[nH]1)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is USEYXASKLJFDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4OS/c11-10(12,13)19-7-4-2-1-3-6(7)8(18)16-9-14-5-15-17-9/h1-5H,(H2,14,15,16,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 288.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 60810768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).