4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride

C8H5ClN2O3S — CID 84704593

IUPAC4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H5ClN2O3S/c9-15(12,13)7-3-1-6(2-4-7)8-10-5-14-11-8/h1-5H
InChIKeyARYRMIRBUCCDKU-UHFFFAOYSA-N
MW244.66 g/mol
LogP1.66
Rot. Bonds2

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

4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride (PubChem CID 84704593) has the molecular formula C8H5ClN2O3S and a molecular weight of 244.66 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
PubChem CID84704593
Molecular FormulaC8H5ClN2O3S
Molecular Weight244.66 g/mol
Exact Mass243.97
IUPAC Name4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H5ClN2O3S/c9-15(12,13)7-3-1-6(2-4-7)8-10-5-14-11-8/h1-5H
InChIKeyARYRMIRBUCCDKU-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride (CID 84704593) is 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
The InChIKey is ARYRMIRBUCCDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3S/c9-15(12,13)7-3-1-6(2-4-7)8-10-5-14-11-8/h1-5H.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride has a molecular weight of 244.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride is sourced from PubChem (CID 84704593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).