2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride

C6H9ClN2O4S3 — CID 65274799

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
SMILESCCc1nsc(S(=O)(=O)CCS(=O)(=O)Cl)n1
InChIInChI=1S/C6H9ClN2O4S3/c1-2-5-8-6(14-9-5)15(10,11)3-4-16(7,12)13/h2-4H2,1H3
InChIKeyPCSJOTZOIUBIBP-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.44
Rot. Bonds5

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride (PubChem CID 65274799) has the molecular formula C6H9ClN2O4S3 and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
PubChem CID65274799
Molecular FormulaC6H9ClN2O4S3
Molecular Weight304.80 g/mol
Exact Mass303.94
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
SMILESCCc1nsc(S(=O)(=O)CCS(=O)(=O)Cl)n1
InChIInChI=1S/C6H9ClN2O4S3/c1-2-5-8-6(14-9-5)15(10,11)3-4-16(7,12)13/h2-4H2,1H3
InChIKeyPCSJOTZOIUBIBP-UHFFFAOYSA-N
XLogP0.44
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
CID 65274744
5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole
CID 66104251
5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole
CID 66126576
5-(2-methoxyethylsulfonyl)-N-methyl-1,2,4-thiadiazol-3-amine
CID 173164978
3-ethyl-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 133333050
3-ethyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 136542442
2-thiophen-2-ylsulfonylethanesulfonyl chloride
CID 12513886
3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole
CID 1211379
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine
CID 130545566
4-bromo-2-(2-chloroethylsulfonyl)-1,3-thiazole
CID 79399163
3-ethylsulfonylpropane-1-sulfonyl chloride
CID 65094375

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride (CID 65274799) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride is CCc1nsc(S(=O)(=O)CCS(=O)(=O)Cl)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride?
The InChIKey is PCSJOTZOIUBIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O4S3/c1-2-5-8-6(14-9-5)15(10,11)3-4-16(7,12)13/h2-4H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride has a molecular weight of 304.80 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride is sourced from PubChem (CID 65274799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).