4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride

C11H11ClN2O4S — CID 43866400

IUPAC4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C)n1
InChIInChI=1S/C11H11ClN2O4S/c1-3-17-10-5-4-8(19(12,15)16)6-9(10)11-13-7(2)18-14-11/h4-6H,3H2,1-2H3
InChIKeyLSQJELJKCDQAFI-UHFFFAOYSA-N
MW302.74 g/mol
LogP2.37
Rot. Bonds4

About 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride

4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride (PubChem CID 43866400) has the molecular formula C11H11ClN2O4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
PubChem CID43866400
Molecular FormulaC11H11ClN2O4S
Molecular Weight302.74 g/mol
Exact Mass302.01
IUPAC Name4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C)n1
InChIInChI=1S/C11H11ClN2O4S/c1-3-17-10-5-4-8(19(12,15)16)6-9(10)11-13-7(2)18-14-11/h4-6H,3H2,1-2H3
InChIKeyLSQJELJKCDQAFI-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
CID 43866403
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
CID 43866399
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 21412386
4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride
CID 160634614
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonyl chloride
CID 23139638
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911303
1-[4-[3-(5-bromo-2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propan-1-one
CID 167946886
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-sulfamoylbenzoate
CID 55492426

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
The IUPAC name of 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride (CID 43866400) is 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C)n1.
What is the InChIKey of 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
The InChIKey is LSQJELJKCDQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S/c1-3-17-10-5-4-8(19(12,15)16)6-9(10)11-13-7(2)18-14-11/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride?
4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride has a molecular weight of 302.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride is sourced from PubChem (CID 43866400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).