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

C12H13ClN2O4S — CID 82910363

IUPAC2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCc1ncon1
InChIInChI=1S/C12H13ClN2O4S/c1-7-4-10(20(13,16)17)8(2)9(3)12(7)18-5-11-14-6-19-15-11/h4,6H,5H2,1-3H3
InChIKeyPBAYSXTZFWMXHE-UHFFFAOYSA-N
MW316.77 g/mol
LogP2.50
Rot. Bonds4

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

2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82910363) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82910363
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCc1ncon1
InChIInChI=1S/C12H13ClN2O4S/c1-7-4-10(20(13,16)17)8(2)9(3)12(7)18-5-11-14-6-19-15-11/h4,6H,5H2,1-3H3
InChIKeyPBAYSXTZFWMXHE-UHFFFAOYSA-N
XLogP2.50
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82910363) is 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCc1ncon1.
What is the InChIKey of 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is PBAYSXTZFWMXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S/c1-7-4-10(20(13,16)17)8(2)9(3)12(7)18-5-11-14-6-19-15-11/h4,6H,5H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 316.77 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).