2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride

C6H10ClN3O2S — CID 84789431

IUPAC2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
SMILESCCn1cc(CCS(=O)(=O)Cl)nn1
InChIInChI=1S/C6H10ClN3O2S/c1-2-10-5-6(8-9-10)3-4-13(7,11)12/h5H,2-4H2,1H3
InChIKeyKHHYOZDSKKOATI-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.41
Rot. Bonds4

About 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride

2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride (PubChem CID 84789431) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
PubChem CID84789431
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC Name2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
SMILESCCn1cc(CCS(=O)(=O)Cl)nn1
InChIInChI=1S/C6H10ClN3O2S/c1-2-10-5-6(8-9-10)3-4-13(7,11)12/h5H,2-4H2,1H3
InChIKeyKHHYOZDSKKOATI-UHFFFAOYSA-N
XLogP0.41
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(1,4-diethyltriazole);ethane
CID 160569546
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
4-(bromomethyl)-1-ethyltriazole
CID 62400485
1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
1-ethyl-4-methyltriazole
CID 58612101
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride
CID 84789843
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-ethyltriazole
CID 112717208
ethyl 5-(1-ethyltriazol-4-yl)pentanoate
CID 137386738

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride (CID 84789431) is 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride is CCn1cc(CCS(=O)(=O)Cl)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride?
The InChIKey is KHHYOZDSKKOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c1-2-10-5-6(8-9-10)3-4-13(7,11)12/h5H,2-4H2,1H3.
What are the key properties of 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride?
2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride has a molecular weight of 223.68 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84789431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).