4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride

C12H7FN2O4S — CID 3101703

IUPAC4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H7FN2O4S/c13-20(16,17)9-5-3-8(4-6-9)11-14-15-12(19-11)10-2-1-7-18-10/h1-7H
InChIKeyUZPJSLXAWDLWPQ-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.65
Rot. Bonds3

About 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride

4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride (PubChem CID 3101703) has the molecular formula C12H7FN2O4S and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
PubChem CID3101703
Molecular FormulaC12H7FN2O4S
Molecular Weight294.26 g/mol
Exact Mass294.01
IUPAC Name4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H7FN2O4S/c13-20(16,17)9-5-3-8(4-6-9)11-14-15-12(19-11)10-2-1-7-18-10/h1-7H
InChIKeyUZPJSLXAWDLWPQ-UHFFFAOYSA-N
XLogP2.65
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
2-(4-Chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 707391
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
2-[[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
CID 2424786
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974
2-(2-Furyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 1224746
4-Fluorobenzoic acid 4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44460132
2-[(4-Fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 948806
2-Furan-2-yl-5-(4-propoxy-phenyl)-[1,3,4]oxadiazole
CID 649099
2-Furan-2-yl-5-(4-isobutoxy-phenyl)-[1,3,4]oxadiazole
CID 652981
2-(4-Butoxy-phenyl)-5-furan-2-yl-[1,3,4]oxadiazole
CID 655323

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride?
The IUPAC name of 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride (CID 3101703) is 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride?
The InChIKey is UZPJSLXAWDLWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O4S/c13-20(16,17)9-5-3-8(4-6-9)11-14-15-12(19-11)10-2-1-7-18-10/h1-7H.
What are the key properties of 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride?
4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride has a molecular weight of 294.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride is sourced from PubChem (CID 3101703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).