2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride

C13H15ClN2O4S — CID 82911706

IUPAC2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nc(COc2c(C)cc(S(=O)(=O)Cl)c(C)c2C)no1
InChIInChI=1S/C13H15ClN2O4S/c1-7-5-11(21(14,17)18)8(2)9(3)13(7)19-6-12-15-10(4)20-16-12/h5H,6H2,1-4H3
InChIKeyNJZWMFKATBWGIR-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.81
Rot. Bonds4

About 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride

2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82911706) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82911706
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nc(COc2c(C)cc(S(=O)(=O)Cl)c(C)c2C)no1
InChIInChI=1S/C13H15ClN2O4S/c1-7-5-11(21(14,17)18)8(2)9(3)13(7)19-6-12-15-10(4)20-16-12/h5H,6H2,1-4H3
InChIKeyNJZWMFKATBWGIR-UHFFFAOYSA-N
XLogP2.81
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.81
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-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82911706) is 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is Cc1nc(COc2c(C)cc(S(=O)(=O)Cl)c(C)c2C)no1.
What is the InChIKey of 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is NJZWMFKATBWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-7-5-11(21(14,17)18)8(2)9(3)13(7)19-6-12-15-10(4)20-16-12/h5H,6H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 330.79 g/mol, XLogP of 2.81, 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82911706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).