3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole

C13H9ClN2O3S2 — CID 99705057

IUPAC3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)cs1
InChIInChI=1S/C13H9ClN2O3S2/c1-21(17,18)11-6-9(7-20-11)13-15-12(16-19-13)8-3-2-4-10(14)5-8/h2-7H,1H3
InChIKeyIRCYOYLKOWLSAX-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.52
Rot. Bonds3

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

3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole (PubChem CID 99705057) has the molecular formula C13H9ClN2O3S2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
PubChem CID99705057
Molecular FormulaC13H9ClN2O3S2
Molecular Weight340.81 g/mol
Exact Mass339.97
IUPAC Name3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)cs1
InChIInChI=1S/C13H9ClN2O3S2/c1-21(17,18)11-6-9(7-20-11)13-15-12(16-19-13)8-3-2-4-10(14)5-8/h2-7H,1H3
InChIKeyIRCYOYLKOWLSAX-UHFFFAOYSA-N
XLogP3.52
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 155539552
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 53126884
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine
CID 53126936
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126864
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43152104
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375451

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole (CID 99705057) is 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole is CS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)cs1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
The InChIKey is IRCYOYLKOWLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S2/c1-21(17,18)11-6-9(7-20-11)13-15-12(16-19-13)8-3-2-4-10(14)5-8/h2-7H,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole has a molecular weight of 340.81 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 99705057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).