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

C9H7FN2O3S — CID 174906529

IUPAC2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnco1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O3S/c10-7-1-3-8(4-2-7)16(13,14)5-9-12-11-6-15-9/h1-4,6H,5H2
InChIKeyTYMSMMGNBPADEJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.18
Rot. Bonds3

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

2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole (PubChem CID 174906529) has the molecular formula C9H7FN2O3S and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
PubChem CID174906529
Molecular FormulaC9H7FN2O3S
Molecular Weight242.23 g/mol
Exact Mass242.02
IUPAC Name2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnco1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O3S/c10-7-1-3-8(4-2-7)16(13,14)5-9-12-11-6-15-9/h1-4,6H,5H2
InChIKeyTYMSMMGNBPADEJ-UHFFFAOYSA-N
XLogP1.18
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole (CID 174906529) is 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole is O=S(=O)(Cc1nnco1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
The InChIKey is TYMSMMGNBPADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3S/c10-7-1-3-8(4-2-7)16(13,14)5-9-12-11-6-15-9/h1-4,6H,5H2.
What are the key properties of 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole has a molecular weight of 242.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 174906529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).