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

C10H7Cl3N2O4S — CID 82910254

IUPAC3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nc(COc2c(Cl)cc(S(=O)(=O)Cl)cc2Cl)no1
InChIInChI=1S/C10H7Cl3N2O4S/c1-5-14-9(15-19-5)4-18-10-7(11)2-6(3-8(10)12)20(13,16)17/h2-3H,4H2,1H3
InChIKeyJCWYTIMMRHIYFD-UHFFFAOYSA-N
MW357.60 g/mol
LogP3.19
Rot. Bonds4

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

3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82910254) has the molecular formula C10H7Cl3N2O4S and a molecular weight of 357.60 g/mol. Its IUPAC name is 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82910254
Molecular FormulaC10H7Cl3N2O4S
Molecular Weight357.60 g/mol
Exact Mass355.92
IUPAC Name3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nc(COc2c(Cl)cc(S(=O)(=O)Cl)cc2Cl)no1
InChIInChI=1S/C10H7Cl3N2O4S/c1-5-14-9(15-19-5)4-18-10-7(11)2-6(3-8(10)12)20(13,16)17/h2-3H,4H2,1H3
InChIKeyJCWYTIMMRHIYFD-UHFFFAOYSA-N
XLogP3.19
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82910254) is 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is Cc1nc(COc2c(Cl)cc(S(=O)(=O)Cl)cc2Cl)no1.
What is the InChIKey of 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is JCWYTIMMRHIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O4S/c1-5-14-9(15-19-5)4-18-10-7(11)2-6(3-8(10)12)20(13,16)17/h2-3H,4H2,1H3.
What are the key properties of 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 357.60 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).