2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole

C15H11ClN2O3S — CID 1484139

IUPAC2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN2O3S/c1-22(19,20)13-5-3-2-4-12(13)15-18-17-14(21-15)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeyAPPVYPDZPRIUHF-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.46
Rot. Bonds3

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

2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole (PubChem CID 1484139) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole
PubChem CID1484139
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN2O3S/c1-22(19,20)13-5-3-2-4-12(13)15-18-17-14(21-15)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeyAPPVYPDZPRIUHF-UHFFFAOYSA-N
XLogP3.46
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 853632
2-(Benzenesulfonylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 22432641
2-[5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl methyl sulfide
CID 1484130
Methyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl sulfide
CID 1484133
2-(4-Chlorophenyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole
CID 1484134
4-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526878
4-[5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526882
2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole
CID 75608
2-(4-Chloro-phenyl)-5-P-tolyl-(1,3,4)oxadiazole
CID 787278
2-[(4-Chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857326
1,1-Dioxido-1-benzothien-3-yl 5-phenyl-1,3,4-oxadiazol-2-yl sulfide
CID 890649
2-(4-Methylphenyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole
CID 1484135

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole (CID 1484139) is 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole is CS(=O)(=O)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole?
The InChIKey is APPVYPDZPRIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-22(19,20)13-5-3-2-4-12(13)15-18-17-14(21-15)10-6-8-11(16)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole has a molecular weight of 334.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1484139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).