3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

C15H10BrFN2O3S — CID 30849075

IUPAC3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O3S/c16-11-3-1-10(2-4-11)15-18-14(22-19-15)9-23(20,21)13-7-5-12(17)6-8-13/h1-8H,9H2
InChIKeyYNZCVYXVOUUJJQ-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.61
Rot. Bonds4

About 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 30849075) has the molecular formula C15H10BrFN2O3S and a molecular weight of 397.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID30849075
Molecular FormulaC15H10BrFN2O3S
Molecular Weight397.23 g/mol
Exact Mass395.96
IUPAC Name3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O3S/c16-11-3-1-10(2-4-11)15-18-14(22-19-15)9-23(20,21)13-7-5-12(17)6-8-13/h1-8H,9H2
InChIKeyYNZCVYXVOUUJJQ-UHFFFAOYSA-N
XLogP3.61
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 30849075) is 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is YNZCVYXVOUUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O3S/c16-11-3-1-10(2-4-11)15-18-14(22-19-15)9-23(20,21)13-7-5-12(17)6-8-13/h1-8H,9H2.
What are the key properties of 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 397.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 30849075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).