3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

C9H5ClF2N2O4S — CID 82921326

IUPAC3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2ncon2)c(F)c1
InChIInChI=1S/C9H5ClF2N2O4S/c10-19(15,16)5-1-6(11)9(7(12)2-5)17-3-8-13-4-18-14-8/h1-2,4H,3H2
InChIKeyGGHGVZDXUDBAKP-UHFFFAOYSA-N
MW310.67 g/mol
LogP1.85
Rot. Bonds4

About 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82921326) has the molecular formula C9H5ClF2N2O4S and a molecular weight of 310.67 g/mol. Its IUPAC name is 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82921326
Molecular FormulaC9H5ClF2N2O4S
Molecular Weight310.67 g/mol
Exact Mass309.96
IUPAC Name3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2ncon2)c(F)c1
InChIInChI=1S/C9H5ClF2N2O4S/c10-19(15,16)5-1-6(11)9(7(12)2-5)17-3-8-13-4-18-14-8/h1-2,4H,3H2
InChIKeyGGHGVZDXUDBAKP-UHFFFAOYSA-N
XLogP1.85
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82921326) is 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(OCc2ncon2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is GGHGVZDXUDBAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O4S/c10-19(15,16)5-1-6(11)9(7(12)2-5)17-3-8-13-4-18-14-8/h1-2,4H,3H2.
What are the key properties of 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 310.67 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82921326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).