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

C11H11ClN2O4S — CID 82909724

IUPAC2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ncon1
InChIInChI=1S/C11H11ClN2O4S/c1-7-4-10(19(12,15)16)8(2)3-9(7)17-5-11-13-6-18-14-11/h3-4,6H,5H2,1-2H3
InChIKeyBIPAGPOEBLHBSR-UHFFFAOYSA-N
MW302.74 g/mol
LogP2.19
Rot. Bonds4

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

2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82909724) has the molecular formula C11H11ClN2O4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82909724
Molecular FormulaC11H11ClN2O4S
Molecular Weight302.74 g/mol
Exact Mass302.01
IUPAC Name2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ncon1
InChIInChI=1S/C11H11ClN2O4S/c1-7-4-10(19(12,15)16)8(2)3-9(7)17-5-11-13-6-18-14-11/h3-4,6H,5H2,1-2H3
InChIKeyBIPAGPOEBLHBSR-UHFFFAOYSA-N
XLogP2.19
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82909724) is 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ncon1.
What is the InChIKey of 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is BIPAGPOEBLHBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S/c1-7-4-10(19(12,15)16)8(2)3-9(7)17-5-11-13-6-18-14-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 302.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82909724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).