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

C11H10Cl2N2O4S — CID 82921303

IUPAC5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCCc1nc(COc2ccc(Cl)cc2S(=O)(=O)Cl)no1
InChIInChI=1S/C11H10Cl2N2O4S/c1-2-11-14-10(15-19-11)6-18-8-4-3-7(12)5-9(8)20(13,16)17/h3-5H,2,6H2,1H3
InChIKeyDELJYAKCQXOUFO-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.79
Rot. Bonds5

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

5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82921303) has the molecular formula C11H10Cl2N2O4S and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82921303
Molecular FormulaC11H10Cl2N2O4S
Molecular Weight337.18 g/mol
Exact Mass335.97
IUPAC Name5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCCc1nc(COc2ccc(Cl)cc2S(=O)(=O)Cl)no1
InChIInChI=1S/C11H10Cl2N2O4S/c1-2-11-14-10(15-19-11)6-18-8-4-3-7(12)5-9(8)20(13,16)17/h3-5H,2,6H2,1H3
InChIKeyDELJYAKCQXOUFO-UHFFFAOYSA-N
XLogP2.79
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
5-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-fluorobenzenesulfonyl chloride
CID 82912610
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
3-chloro-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911293
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 52734301
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
3-[(2-chloro-4-nitrophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 47364532
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495157
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82921303) is 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is CCc1nc(COc2ccc(Cl)cc2S(=O)(=O)Cl)no1.
What is the InChIKey of 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is DELJYAKCQXOUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4S/c1-2-11-14-10(15-19-11)6-18-8-4-3-7(12)5-9(8)20(13,16)17/h3-5H,2,6H2,1H3.
What are the key properties of 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 337.18 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82921303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).