2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

C14H7Cl3N2OS — CID 141232311

IUPAC2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1cccc(Sc2nnc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C14H7Cl3N2OS/c15-8-2-1-3-10(6-8)21-14-19-18-13(20-14)11-5-4-9(16)7-12(11)17/h1-7H
InChIKeyUEEBCFFSTWKMKX-UHFFFAOYSA-N
MW357.65 g/mol
LogP5.85
Rot. Bonds3

About 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 141232311) has the molecular formula C14H7Cl3N2OS and a molecular weight of 357.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID141232311
Molecular FormulaC14H7Cl3N2OS
Molecular Weight357.65 g/mol
Exact Mass355.93
IUPAC Name2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1cccc(Sc2nnc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C14H7Cl3N2OS/c15-8-2-1-3-10(6-8)21-14-19-18-13(20-14)11-5-4-9(16)7-12(11)17/h1-7H
InChIKeyUEEBCFFSTWKMKX-UHFFFAOYSA-N
XLogP5.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.65
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 153350066
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 45134896
(2S)-2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 9484267
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
CID 43977044
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852
2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3119544
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
CID 17245159
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
benzyl 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1102828
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 6456829
2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 756146

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 141232311) is 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1cccc(Sc2nnc(-c3ccc(Cl)cc3Cl)o2)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is UEEBCFFSTWKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2OS/c15-8-2-1-3-10(6-8)21-14-19-18-13(20-14)11-5-4-9(16)7-12(11)17/h1-7H.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 357.65 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 141232311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).