2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole

C10H9ClN2O3S — CID 67266727

IUPAC2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS(=O)(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C10H9ClN2O3S/c1-7-12-13-10(16-7)6-17(14,15)9-4-2-3-8(11)5-9/h2-5H,6H2,1H3
InChIKeyOZZOBRDXHOLLRG-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.01
Rot. Bonds3

About 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole

2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 67266727) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID67266727
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS(=O)(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C10H9ClN2O3S/c1-7-12-13-10(16-7)6-17(14,15)9-4-2-3-8(11)5-9/h2-5H,6H2,1H3
InChIKeyOZZOBRDXHOLLRG-UHFFFAOYSA-N
XLogP2.01
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole (CID 67266727) is 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CS(=O)(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is OZZOBRDXHOLLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-7-12-13-10(16-7)6-17(14,15)9-4-2-3-8(11)5-9/h2-5H,6H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 272.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 67266727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).