3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

C9H6ClFN2O4S — CID 82915561

IUPAC3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ncon2)c(F)c1
InChIInChI=1S/C9H6ClFN2O4S/c10-18(14,15)6-1-2-8(7(11)3-6)16-4-9-12-5-17-13-9/h1-3,5H,4H2
InChIKeyNZKZIVZYZIKOCW-UHFFFAOYSA-N
MW292.68 g/mol
LogP1.72
Rot. Bonds4

About 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82915561) has the molecular formula C9H6ClFN2O4S and a molecular weight of 292.68 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82915561
Molecular FormulaC9H6ClFN2O4S
Molecular Weight292.68 g/mol
Exact Mass291.97
IUPAC Name3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ncon2)c(F)c1
InChIInChI=1S/C9H6ClFN2O4S/c10-18(14,15)6-1-2-8(7(11)3-6)16-4-9-12-5-17-13-9/h1-3,5H,4H2
InChIKeyNZKZIVZYZIKOCW-UHFFFAOYSA-N
XLogP1.72
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82915561) is 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ncon2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is NZKZIVZYZIKOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O4S/c10-18(14,15)6-1-2-8(7(11)3-6)16-4-9-12-5-17-13-9/h1-3,5H,4H2.
What are the key properties of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 292.68 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82915561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).