2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole

C15H9ClF2N2O3S2 — CID 133427660

IUPAC2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)cc1)C(F)F
InChIInChI=1S/C15H9ClF2N2O3S2/c16-10-3-1-2-9(8-10)13-19-20-15(23-13)24-11-4-6-12(7-5-11)25(21,22)14(17)18/h1-8,14H
InChIKeyLEXNOMZVUANYNV-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.54
Rot. Bonds5

About 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 133427660) has the molecular formula C15H9ClF2N2O3S2 and a molecular weight of 402.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole
PubChem CID133427660
Molecular FormulaC15H9ClF2N2O3S2
Molecular Weight402.83 g/mol
Exact Mass401.97
IUPAC Name2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)cc1)C(F)F
InChIInChI=1S/C15H9ClF2N2O3S2/c16-10-3-1-2-9(8-10)13-19-20-15(23-13)24-11-4-6-12(7-5-11)25(21,22)14(17)18/h1-8,14H
InChIKeyLEXNOMZVUANYNV-UHFFFAOYSA-N
XLogP4.54
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 1362676
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852
2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 6493026
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7661147
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
CID 51184819
2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427658
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
CID 7533885
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 9382607
2-(3-chlorophenyl)-5-(ethoxymethylsulfanyl)-1,3,4-oxadiazole
CID 100686773
2-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7534146

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole (CID 133427660) is 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole is O=S(=O)(c1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)cc1)C(F)F.
What is the InChIKey of 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is LEXNOMZVUANYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O3S2/c16-10-3-1-2-9(8-10)13-19-20-15(23-13)24-11-4-6-12(7-5-11)25(21,22)14(17)18/h1-8,14H.
What are the key properties of 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 402.83 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 133427660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).