4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride

C11H10ClFN2O4S — CID 82917859

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
SMILESCCc1nc(COc2ccc(S(=O)(=O)Cl)cc2F)no1
InChIInChI=1S/C11H10ClFN2O4S/c1-2-11-14-10(15-19-11)6-18-9-4-3-7(5-8(9)13)20(12,16)17/h3-5H,2,6H2,1H3
InChIKeyIUNBLWPYSDMZGV-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.28
Rot. Bonds5

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride (PubChem CID 82917859) has the molecular formula C11H10ClFN2O4S and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
PubChem CID82917859
Molecular FormulaC11H10ClFN2O4S
Molecular Weight320.73 g/mol
Exact Mass320.00
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
SMILESCCc1nc(COc2ccc(S(=O)(=O)Cl)cc2F)no1
InChIInChI=1S/C11H10ClFN2O4S/c1-2-11-14-10(15-19-11)6-18-9-4-3-7(5-8(9)13)20(12,16)17/h3-5H,2,6H2,1H3
InChIKeyIUNBLWPYSDMZGV-UHFFFAOYSA-N
XLogP2.28
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82921303
3-chloro-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911293
5-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-fluorobenzenesulfonyl chloride
CID 82912610
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687320
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
3-[(2-chloro-4-nitrophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 47364532
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911303
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride (CID 82917859) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride is CCc1nc(COc2ccc(S(=O)(=O)Cl)cc2F)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride?
The InChIKey is IUNBLWPYSDMZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O4S/c1-2-11-14-10(15-19-11)6-18-9-4-3-7(5-8(9)13)20(12,16)17/h3-5H,2,6H2,1H3.
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride has a molecular weight of 320.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).