N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide

C16H8Cl2F3N3O2S — CID 155235745

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H8Cl2F3N3O2S/c17-9-3-6-11(12(18)7-9)14-23-24-15(26-14)22-13(25)8-1-4-10(5-2-8)27-16(19,20)21/h1-7H,(H,22,24,25)
InChIKeyMUQBQOPYVODJMS-UHFFFAOYSA-N
MW434.23 g/mol
LogP5.91
Rot. Bonds4

About N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 155235745) has the molecular formula C16H8Cl2F3N3O2S and a molecular weight of 434.23 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID155235745
Molecular FormulaC16H8Cl2F3N3O2S
Molecular Weight434.23 g/mol
Exact Mass432.97
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H8Cl2F3N3O2S/c17-9-3-6-11(12(18)7-9)14-23-24-15(26-14)22-13(25)8-1-4-10(5-2-8)27-16(19,20)21/h1-7H,(H,22,24,25)
InChIKeyMUQBQOPYVODJMS-UHFFFAOYSA-N
XLogP5.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.23
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide (CID 155235745) is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is MUQBQOPYVODJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3N3O2S/c17-9-3-6-11(12(18)7-9)14-23-24-15(26-14)22-13(25)8-1-4-10(5-2-8)27-16(19,20)21/h1-7H,(H,22,24,25).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 434.23 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 155235745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).