2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C16H12ClFN2O3S2 — CID 18130345

IUPAC2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(CCSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFN2O3S2/c17-12-3-7-14(8-4-12)25(21,22)10-9-24-16-20-19-15(23-16)11-1-5-13(18)6-2-11/h1-8H,9-10H2
InChIKeyXUYCQOUPENHZKR-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.10
Rot. Bonds6

About 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 18130345) has the molecular formula C16H12ClFN2O3S2 and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID18130345
Molecular FormulaC16H12ClFN2O3S2
Molecular Weight398.87 g/mol
Exact Mass398.00
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(CCSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFN2O3S2/c17-12-3-7-14(8-4-12)25(21,22)10-9-24-16-20-19-15(23-16)11-1-5-13(18)6-2-11/h1-8H,9-10H2
InChIKeyXUYCQOUPENHZKR-UHFFFAOYSA-N
XLogP4.10
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 82044382
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-amine
CID 39369238
2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole
CID 24577901
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
2-(4-fluorophenyl)-5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazole
CID 172880471
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 18127801
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8675663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 18130345) is 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is O=S(=O)(CCSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is XUYCQOUPENHZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O3S2/c17-12-3-7-14(8-4-12)25(21,22)10-9-24-16-20-19-15(23-16)11-1-5-13(18)6-2-11/h1-8H,9-10H2.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 398.87 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 18130345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).